SCHEMBL31420090

SCHEMBL31420090

COc1cc(NC(C)=O)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP1A2 P05177 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHEK1 O14757 2/20 0.45
▸ MET P08581 1/20 0.44
▸ ADORA3 P0DMS8 5/20 0.43
▸ GAA P10253 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL30675605 0.85 L3MBTL1 (0.53) PTK2L3MBTL1CYP1A2CYP3A4MET
SCHEMBL14784811 0.80 TSHR (0.48) CYP1A2RAB9ANPC1TP53CYP3A4
SCHEMBL14784665 0.80 CHEK1 (0.52) L3MBTL1CYP1A2RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL30756447 0.79 MAPK8 (0.48) PTK2L3MBTL1CYP3A4CHEK1MET
SCHEMBL7029088 0.78 PTK2 (0.54) PTK2L3MBTL1CYP1A2RAB9ANPC1
SCHEMBL23520407 0.78 CDK9 (0.67) ADORA3HDAC6CDK1CDK4CDK2
SCHEMBL20031484 0.77 PTK2 (0.53) PTK2L3MBTL1CYP1A2RAB9ANPC1
SCHEMBL23610778 0.77 PTK2 (0.53) PTK2L3MBTL1CYP1A2RAB9ANPC1
SCHEMBL25118045 0.75 PTK2 (0.51) PTK2L3MBTL1CYP1A2RAB9ANPC1
SCHEMBL5318470 0.75 PTK2 (0.51) PTK2L3MBTL1CYP1A2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2026-01-01 — — US claimed
US-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2026-01-01 — — US disclosed
CN-119562812-A Substituted N- (pyridin-2-yl) acetamide derivatives as CDK12/13 inhibitors 奥里吉恩肿瘤学有限公司 2025-03-04 — — CN 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 (1 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-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors CDK1, CDK12, CDK11A PTK2 127/4885L3MBTL1 1477/4885CYP1A2 2828/4885

“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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