Sugi Predict

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SCHEMBL4697890

SCHEMBL4697890

COCCNc1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 6/20 0.48
▸ CYP1A2 P05177 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ NCF1 P14598 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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 SCHEMBL6186878 0.99 CRHR1 (0.47) CRHR1CYP1A2HSD17B10KDM4ECYP3A4
SCHEMBL4698855 0.80 CRHR1 (0.44) CRHR1CYP1A2HSD17B10KDM4ECYP3A4
SCHEMBL4697350 0.79 ATM (0.42) CRHR1HSD17B10KDM4EALDH1A1CASP7
SCHEMBL4698860 0.79 CRHR1 (0.44) CRHR1CYP1A2HSD17B10KDM4ECYP3A4
Hydrochloric Acid SCHEMBL4697950 0.79 CRHR1 (0.44) CRHR1CYP1A2HSD17B10KDM4ECYP3A4
SCHEMBL4697786 0.77 CRHR1 (0.62) CRHR1
Hydrochloric Acid SCHEMBL4701196 0.76 CRHR1 (0.61) CRHR1
SCHEMBL3362569 0.76 CRHR1 (0.40) CRHR1GABRG2GABRB3GABRA2
SCHEMBL3364082 0.75 CRHR1 (0.45) CRHR1CYP1A2ALDH1A1USP2MAPT
SCHEMBL3364499 0.74 CRHR1 (0.41) CRHR1GABRG2GABRB3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 — — EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 — — US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 — — US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 — — EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 — — WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 — — US 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH CRHR1 1/4885CYP1A2 377/4885HSD17B10 2633/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 CRHR1 1/4885CYP1A2 362/4885HSD17B10 2761/4885

“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.