SCHEMBL112456

SCHEMBL112456

Cc1nccn1-c1ccc(CN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADH5 P11766 1/20 0.47
NR3C2 P08235 5/20 0.45
GRM5 P41594 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30558759 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL300802 0.84 CYP3A4 (0.61) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL111365 0.83 CYP3A4 (0.53) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL7809131 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL7802849 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL7809105 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL6425285 0.80 KEAP1 (0.43) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL265184 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL15094392 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL8268417 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751430-A Self-repairing elastomer based on triple hydrogen bond and metal coordination effect and preparation method thereof 西北工业大学 2023-09-15 CN claimed
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-11-21 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
CN-117940427-A Substituted pyrazolo [1,5-a ] pyrimidine-7-amine compounds as CDK inhibitors and therapeutic uses thereof 卡里克治疗有限公司 2024-04-26 CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
US-11795163-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same CHECKMATE THERAPEUTICS INC. 2023-10-24 US disclosed
US-11795163-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same CHECKMATE THERAPEUTICS INC. 2023-10-24 US disclosed
CN-116751430-A Self-repairing elastomer based on triple hydrogen bond and metal coordination effect and preparation method thereof 西北工业大学 2023-09-15 CN disclosed
US-20230010258-A1 COMPOSITION FOR PREVENTING OR INHIBITING AXONAL DEGENERATION CHECKMATE THERAPEUTICS INC. (KR) 2023-01-12 US disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885CYP3A4 256/4885CYP1A2 1131/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885CYP1A2 2850/4885
US-20230010258-A1 COMPOSITION FOR PREVENTING OR INHIBITING AXONAL DEGENERATION BDNF, GAP43, PRPH ALDH1A1 2290/4885CYP3A4 4882/4885CYP1A2 4852/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ALDH1A1 1721/4885CYP3A4 57/4885CYP1A2 115/4885
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK3, CDK1, CDK2 ALDH1A1 4701/4885CYP3A4 3444/4885CYP1A2 2735/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 ALDH1A1 4162/4885CYP3A4 3973/4885CYP1A2 4439/4885
US-11795163-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same NAMPT, NAPRT, NNT ALDH1A1 1903/4885CYP3A4 4056/4885CYP1A2 3970/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885CYP1A2 2850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.