SCHEMBL112455

SCHEMBL112455

NCc1ccc(-c2cccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 1.00
CYP17A1 P05093 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
HRH3 Q9Y5N1 1/20 0.54
TAAR1 Q96RJ0 4/20 0.52
KCNH2 Q12809 1/20 0.52
LOXL2 Q9Y4K0 2/20 0.50
PRMT6 Q96LA8 1/20 0.47
ADRB2 P07550 1/20 0.45
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 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
Iodide SCHEMBL30800725 0.98 LTA4H (0.96) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL30800724 0.89 LTA4H (0.79) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL30800723 0.89 LTA4H (0.79) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL30800726 0.89 LTA4H (0.79) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL111078 0.84 LTA4H (0.72) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL338810 0.83 LTA4H (0.70) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL7455134 0.81 LTA4H (0.67) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL404521 0.81 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL8340210 0.81 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2HRH3
SCHEMBL1437852 0.81 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117684274-A Low-dimensional perovskite single crystal material and preparation method and application thereof 南华大学 2024-03-12 CN claimed
WO-2025067540-A1 PYRAZOLOTRIAZINE AND PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2025-04-03 WO 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-117684274-A Low-dimensional perovskite single crystal material and preparation method and application thereof 南华大学 2024-03-12 CN disclosed
CN-117684274-A Low-dimensional perovskite single crystal material and preparation method and application thereof 南华大学 2024-03-12 CN disclosed
WO-2022109078-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. (US) 2022-05-27 WO disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
EP-3325480-B1 5-SUBSTITUTED-7-[4-(SUBSTITUTED) BENZYL]AMINO-3-ISOPROPYLPYRAZOLO (4,3-D) PYRIMIDINES AS MEDICAMENTS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2020-04-22 EP disclosed
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed
CN-1353713-A Purine inhibitors of cyclin dependent kinase 2 and IK B-alpha CV THERAPEUTICS INC (US) 2002-06-12 CN disclosed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US disclosed
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CV THERAPEUTICS, INC. 2002-03-14 US disclosed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 EP disclosed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP disclosed
CN-1231611-A Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' CV THERAPEUTIC INC (US) 1999-10-13 CN disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO disclosed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 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 (5 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 LTA4H 2159/4885CYP17A1 2387/4885CYP11B1 858/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 LTA4H 2159/4885CYP17A1 2387/4885CYP11B1 858/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 LTA4H 2448/4885CYP17A1 2367/4885CYP11B1 835/4885
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CDKN1A, CCNK, CDK1 LTA4H 3153/4885CYP17A1 4316/4885CYP11B1 3675/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB LTA4H 3338/4885CYP17A1 4177/4885CYP11B1 3173/4885

“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.