SCHEMBL1482850

SCHEMBL1482850

COc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1Cc1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.48
GRIN2B Q13224 5/20 0.48
CCR2 P41597 1/20 0.46
ROCK2 O75116 3/20 0.42
P2RX7 Q99572 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
BRD4 O60885 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK14 Q16539 2/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL1484222 0.91 DRD2 (0.38) GRIN1GRIN2BP2RX7KMT2A
SCHEMBL1482892 0.90 KMT2A (0.45) GRIN1GRIN2BCCR2P2RX7KMT2A
SCHEMBL1482685 0.88 KMT2A (0.48) BRD4KMT2A
SCHEMBL1482808 0.87 CCR2 (0.49) GRIN1GRIN2BCCR2MRGPRX4BRD4
SCHEMBL1484274 0.86 CCR2 (0.42) GRIN1GRIN2BCCR2MRGPRX4KMT2A
SCHEMBL1482474 0.86 CNR1 (0.39) P2RX7KMT2A
SCHEMBL1482680 0.86 MDM2 (0.39) GRIN1GRIN2BKMT2AMEN1
SCHEMBL1483030 0.82 DRD2 (0.47) CCR2MRGPRX4
SCHEMBL1482982 0.78 KDM4E (0.51) KMT2AMEN1
SCHEMBL1483164 0.78 DHFR (0.44) KMT2AMEN1

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-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 GRIN1 2990/4885GRIN2B 2072/4885CCR2 2930/4885

“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.