SCHEMBL7991998

SCHEMBL7991998

Cc1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
POLB P06746 4/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CBFB Q13951 1/20 0.45
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.44
MEN1 O00255 3/20 0.41

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
SCHEMBL8531612 0.88 MAPT (0.49) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL12819467 0.88 MAPT (0.51) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL13062653 0.88 MAPT (0.51) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL10268918 0.86 MAPT (0.50) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL30390720 0.86 MAPT (0.50) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL14014551 0.84 MAPT (0.49) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL2947016 0.84 ALDH1A1 (0.53) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL8265257 0.84 ALDH1A1 (0.53) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL855939 0.84 MAPT (0.49) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL12430871 0.84 POLB (0.49) KDM4EMAPTPOLBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
WO-2022261235-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed
WO-2022261221-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed
CN-113512038-B Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof 华南师范大学 2022-08-05 CN disclosed
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 US disclosed
CN-113512038-A Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof 华南师范大学 2021-10-19 CN disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
WO-2021076448-A1 SOMATOSTATIN MODULATORS FOR TREATING PITUITARY ADENOMAS Crinetics Pharmaceuticals, Inc. (US) 2021-04-22 WO disclosed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-6291203-B1 UNSYMMETRICAL FLUORESCENT DYES FOR ORGANELLES MOLECULAR PROBES, INC. 2001-09-18 US disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP 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 (6 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-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDM4E 1618/4885MAPT 4114/4885POLB 380/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885MAPT 1824/4885POLB 2129/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 KDM4E 737/4885MAPT 613/4885POLB 979/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 KDM4E 828/4885MAPT 1807/4885POLB 672/4885
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A KDM4E 155/4885MAPT 4678/4885POLB 844/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B KDM4E 102/4885MAPT 4561/4885POLB 2880/4885

“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.