SCHEMBL9944835

SCHEMBL9944835

CCNc1cc(NC)c(N)cc1C(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.56
TSHR P16473 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
EGFR P00533 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9946577 0.89 FADS1 (0.53) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL10170901 0.86 FADS1 (0.63) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL9944834 0.83 EGFR (0.49) FADS1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL11992718 0.83 EGFR (0.57) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL9944849 0.83 IDO1 (0.45) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL9944731 0.82 FADS1 (0.53) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL9944831 0.81 FADS1 (0.51) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL10170839 0.79 FADS1 (0.51) FADS1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL9946971 0.78 FADS1 (0.53) FADS1TSHRKMT2AMEN1CYP1A2
SCHEMBL9899451 0.78 FADS1 (0.50) FADS1TSHRKMT2ACYP1A2CYP3A4

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES FADS1 494/4885TSHR 2173/4885KMT2A 3376/4885

“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.