SCHEMBL1461371

SCHEMBL1461371

N#Cc1ccc(-n2ccnc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.52
▸ CYP3A4 P08684 7/20 0.52
▸ CYP2C19 P33261 7/20 0.52
▸ ALOX15 P16050 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP2D6 P10635 6/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP2C9 P11712 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP19A1 P11511 6/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ TBXAS1 P24557 1/20 0.43
▸ CD38 P28907 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL17630104 0.79 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL31087006 0.78 MAPT (0.40) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL4395061 0.77 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL17630077 0.76 CYP11B1 (0.56) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL1483693 0.75 CYP19A1 (0.58) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL1421155 0.75 CYP19A1 (0.46) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL1009532 0.75 LMNA (0.58) CYP1A2CYP3A4CYP2C19ALOX15CYP2D6
SCHEMBL4878557 0.74 LMNA (0.56) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL8815628 0.74 GAA (0.50) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL21863403 0.74 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605477-B Pyrazolo [1,5-a ] pyridine derivative, preparation method, composition and application thereof 深圳众格生物科技有限公司 2024-07-05 — — CN disclosed
US-20230159523-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 — — US disclosed
EP-4141003-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF Shenzhen Zhongge Biological Technology Co., Ltd. (CN) 2023-03-01 — — EP disclosed
CN-115605477-A Pyrazolo [1,5-a ] pyridine derivative and preparation method, composition and application thereof 深圳众格生物科技有限公司(CN) 2023-01-13 — — CN disclosed
WO-2021213476-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF 深圳晶泰科技有限公司 (CN) 2021-10-28 — — WO disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — US disclosed
CN-102639523-A Substituted (heteroarylmethyl) thiohydantoin useful as anticancer agents BAYER SCHERING PHARMA AG 2012-08-15 — — CN disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 — — EP disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 — — WO disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 — — WO disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 — — EP disclosed
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — 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 (2 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-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL CYP1A2 105/4885CYP3A4 172/4885CYP2C19 79/4885
US-20230159523-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF NCOA4, CCDC47, CCDC6 CYP1A2 4124/4885CYP3A4 1869/4885CYP2C19 3546/4885

“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.

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