SCHEMBL989177

SCHEMBL989177

Fc1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
ALPL P05186 1/20 0.42
RPA1 P27694 1/20 0.42
MAPK1 P28482 2/20 0.41
CRHBP P24387 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
SCN4A P35499 1/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NOTUM Q6P988 1/20 0.37
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL7809921 0.98 CA12 (0.41) CA12ALPLRPA1MAPK1CRHBP
Water SCHEMBL28192673 0.98 CA12 (0.41) CA12ALPLRPA1MAPK1CRHBP
SCHEMBL1385301 0.90 SCN4A (0.51) RAB9AALDH1A1SCN4ANPC1MEN1
SCHEMBL3364919 0.89 CYP1A2 (0.42) CA12ALPLRPA1MAPK1CRHBP
SCHEMBL16766999 0.88 LMNA (0.36) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL25294593 0.84 MAPKAPK2 (0.47) CA12ALPLRPA1MAPK1ATM
SCHEMBL30509939 0.84 MAPKAPK2 (0.47) CA12ALPLRPA1MAPK1ATM
SCHEMBL25838667 0.78 ALK (0.39) CA12ALPLRPA1MAPK1ATM
SCHEMBL13978567 0.78 SCN4A (0.41) ALDH1A1SCN4AMEN1KMT2AMAPT
SCHEMBL1926319 0.77 METAP2 (0.50) ALPLRAB9AALDH1A1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US claimed
US-20260070922-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS HAGER BIOSCIENCES, LLC (US) 2026-03-12 US disclosed
WO-2025236011-A1 COMPOSITIONS FOR PHOSPHOROUS-AZOLE EXCHANGE CHEMISTRY AND USE THEREOF TO TARGET FUNCTIONAL PROTEIN SITES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-11-13 WO disclosed
EP-4638448-A1 CONJUGATES COMPRISING ANTIFUNGALS AND CASEIN KINASE (CK1) INHIBITORS AND METHODS OF USE THEREOF Bright Angel Therapeutics Inc. (CA) 2025-10-29 EP disclosed
US-20250275965-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS GRITSCIENCE BIOPHARMACEUTICALS CO LTD (CN) 2025-09-04 US disclosed
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 US disclosed
EP-4580620-A2 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS, COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS Hager Biosciences, LLC (US) 2025-07-09 EP disclosed
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
CN-120058445-A Method for generating aryl phenol compound by hydroxylation of uranium photocatalytic aryl fluorine compound and application of method 华东师范大学 2025-05-30 CN disclosed
CN-111655258-B Compositions for cryopreservation and methods of use thereof 常青树生物科学公司 2025-03-21 CN disclosed
EP-1467730-A1 NON-STEROIDAL LIGANDS FOR THE GLUCOCORTICOID RECEPTOR, COMPOSITIONS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-10-20 EP disclosed
EP-1421828-A1 ORGANIC LIGHT EMITTING DEVICES HAVING CARRIER TRANSPORTING LAYERS COMPRISING METAL COMPLEXES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-05-26 EP disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
US-20030176478-A1 Non-steroidal ligands for the glucocorticoid receptor, compositions and uses thereof NIH-DEITR 2003-09-18 US disclosed
WO-2003061651-A1 NON-STEROIDAL LIGANDS FOR THE GLUCOCORTICOID RECEPTOR, COMPOSITIONS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-07-31 WO disclosed
US-20030059647-A1 Organic light emitting devices having carrier transporting layers comprising metal complexes THE UNIVERSITY OF SOUTHERN CALIFORNIA 2003-03-27 US disclosed
WO-2003022008-A1 ORGANIC LIGHT EMITTING DEVICES HAVING CARRIER TRANSPORTING LAYERS COMPRISING METAL COMPLEXES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2003-03-13 WO disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 WO disclosed
WO-2000018741-A2 PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 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 (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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 CA12 3492/4885ALPL 3135/4885RPA1 463/4885
US-20030176478-A1 Non-steroidal ligands for the glucocorticoid receptor, compositions and uses thereof NR3C1, NR3C2, GCGR CA12 4510/4885ALPL 4434/4885RPA1 2450/4885
US-20250236608-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 CA12 1663/4885ALPL 4615/4885RPA1 2936/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 CA12 3567/4885ALPL 2024/4885RPA1 1673/4885
US-20260070922-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS OPRK1, OPRD1, HCRTR2 CA12 3882/4885ALPL 4621/4885RPA1 4110/4885
US-20250275965-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS PACSIN2, CSNK1A1, CSNK1G3 CA12 1521/4885ALPL 892/4885RPA1 2588/4885

“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.