SCHEMBL3108726

SCHEMBL3108726

COc1ccc(Cn2nc(C)c3c(Oc4cc(F)c(N)cc4Cl)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPBWR1 P48145 3/20 0.35
MCHR1 Q99705 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
SCHEMBL3108627 0.93 CYP1A2 (0.39) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3114532 0.89 NR3C1 (0.37) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3107841 0.88 CYP1A2 (0.39) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4791642 0.85 NR3C1 (0.39) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3117913 0.85 DCTPP1 (0.38) NR3C1
SCHEMBL3104428 0.85 CYP1A2 (0.39) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3107937 0.85 CYP1A2 (0.39) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3112005 0.84 CYP1A2 (0.39) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3109041 0.83 NPBWR1 (0.40) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3098209 0.83 CYP1A2 (0.40) NR3C1CYP1A2CYP3A4CYP2D6CYP2C9

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
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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 (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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 NR3C1 560/4885CYP1A2 254/4885CYP3A4 129/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 NR3C1 560/4885CYP1A2 254/4885CYP3A4 129/4885

“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.