SCHEMBL4701274

SCHEMBL4701274

Cc1cc(C)c(-c2cccc3c(NC(=O)OC(C)(C)C)n(C)nc23)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.37
NSD2 O96028 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
CRHR1 P34998 2/20 0.35
MAPK14 Q16539 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
RORC P51449 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL4697350 0.81 ATM (0.42) CRHR1
SCHEMBL4704335 0.79 MEN1 (0.40) LCKBRD9MAPK14
SCHEMBL3362569 0.77 CRHR1 (0.40) CRHR1
SCHEMBL3364499 0.76 CRHR1 (0.41) CRHR1
SCHEMBL3364390 0.76 CRHR1 (0.40) NPSR1CRHR1
SCHEMBL4700361 0.73 CRHR1 (0.40) CRHR1
SCHEMBL4697890 0.73 CRHR1 (0.48) CYP2C19NPSR1CRHR1
SCHEMBL3364082 0.72 CRHR1 (0.45) CRHR1
Hydrochloric Acid SCHEMBL6186878 0.72 CRHR1 (0.47) CYP2C19NPSR1CRHR1
SCHEMBL7592731 0.71 LCK (0.41) LCKCYP2C9CYP2C19NPSR1CA12

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 LCK 3043/4885NSD2 2747/4885CYP2C9 385/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 LCK 3004/4885NSD2 2528/4885CYP2C9 395/4885

“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.