SCHEMBL14281983

SCHEMBL14281983

COc1ccnc(-c2ccc(OC(F)(F)F)cc2OC)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.44
▸ RUNX1 Q01196 2/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CTSA P10619 1/20 0.40
▸ ABL1 P00519 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL14281982 0.85 CRHR1 (0.43) CRHR1RUNX1SCN9ACYP1A2CYP3A4
SCHEMBL4629107 0.79 CYP1A2 (0.43) CRHR1SCN9ACYP1A2CYP3A4TSHR
SCHEMBL14281981 0.74 ABL1 (0.44) CRHR1RUNX1SCN9AABL1
SCHEMBL30451078 0.74 CYP1A1 (0.55) CRHR1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL26985646 0.73 CYP1A2 (0.65) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL31506117 0.73 CYP1A2 (0.65) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL6286387 0.72 CRHR1 (0.61) CRHR1RUNX1SCN9ACYP1A2CYP3A4
SCHEMBL12422184 0.70 CA12 (0.61) RUNX1CYP1A2CYP2C19GPR3
SCHEMBL15769209 0.70 DYRK1A (0.47) CYP1A2ABL1GPR3SCN5A
SCHEMBL20460397 0.70 RUNX1 (0.54) RUNX1

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 1/4885RUNX1 1849/4885SCN9A 4698/4885

“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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