SCHEMBL3605567

SCHEMBL3605567

COC(=O)n1nccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ P2RX4 Q99571 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33

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
SCHEMBL1864917 0.80 FAAH (0.40) ELANEPOLB
SCHEMBL27925863 0.78 — —
SCHEMBL9299670 0.69 KDM4E (0.42) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL9123527 0.67 — —
SCHEMBL13815759 0.65 KLK3 (0.45) F2KDM4EMAPT
SCHEMBL1857119 0.65 NPC1 (0.45) F2PLAUELANEKMT2AMEN1
SCHEMBL20473961 0.65 CHRNB2 (0.41) F2PLAUKLKB1ELANEALDH1A1
SCHEMBL4903292 0.64 — —
SCHEMBL14114936 0.64 KDM4E (0.33) KDM4EALDH1A1GAAPOLB
SCHEMBL27631736 0.64 ELANE (0.43) F2PLAUKLKB1ELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117412974-A Salt and crystal form containing pyrazole polycyclic derivative as well as preparation method and application thereof 上海翰森生物医药科技有限公司 2024-01-16 — — CN disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed
CN-101631786-A Novel JNK inhibitors SCHERING CORP 2010-01-20 — — CN disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 — — EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 — — 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 (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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 F2 4505/4885PLAU 4287/4885KLKB1 4029/4885

“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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