SCHEMBL14281982

SCHEMBL14281982

COc1cc(OC(F)(F)F)ccc1-c1nccc(O)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ RUNX1 Q01196 2/20 0.43
▸ CTSA P10619 1/20 0.42
▸ ABL1 P00519 5/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL14281983 0.85 CRHR1 (0.44) CRHR1SCN9ARUNX1CTSAABL1
SCHEMBL4627925 0.79 CYP1A2 (0.43) CRHR1SCN9ACYP1A2CYP3A4TSHR
SCHEMBL14281981 0.79 ABL1 (0.44) CRHR1SCN9ARUNX1ABL1KCNH2
SCHEMBL13674055 0.74 CYP1A2 (0.63) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL30451078 0.73 CYP1A1 (0.55) CRHR1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL14281980 0.72 CRHR1 (0.56) CRHR1RUNX1CTSAABL1
SCHEMBL365669 0.72 GCGR (0.52) RUNX1ABL1TSHRMEN1KMT2A
SCHEMBL6286387 0.71 CRHR1 (0.61) CRHR1SCN9ARUNX1CYP1A2CYP3A4
SCHEMBL3908845 0.70 RECQL (0.49) CYP1A2CYP3A4TSHRMEN1USP2
SCHEMBL3917166 0.70 NPC1 (0.49) CYP1A2CYP3A4TSHRALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 — — US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 — — 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 (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-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP CRHR1 1/4885SCN9A 4698/4885RUNX1 1849/4885

“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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