SCHEMBL2975972

SCHEMBL2975972

N#Cc1cccnc1Nc1ccc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.54
HPGD P15428 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
POLB P06746 1/20 0.53
BCL6 P41182 1/20 0.52
PRKCQ Q04759 3/20 0.49
PRKCD Q05655 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP3 P42574 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL2984264 0.91 HPGD (0.52) GRM4HPGDNPC1ALDH1A1RAB9A
SCHEMBL30302489 0.83 GRM4 (0.50) GRM4CYP1A2CYP2D6CYP2C9CYP3A4
SCHEMBL22803760 0.83 GRM4 (0.50) GRM4CYP1A2CYP2D6CYP2C9CYP3A4
SCHEMBL30302532 0.78 EGFR (0.58) GRM4CYP1A2FGFR2FLT3EGFR
SCHEMBL22803766 0.78 EGFR (0.47) GRM4CYP1A2FGFR2FLT3EGFR
SCHEMBL30302566 0.78 EGFR (0.47) GRM4CYP1A2FGFR2FLT3EGFR
SCHEMBL22803770 0.78 EGFR (0.58) GRM4CYP1A2FGFR2FLT3EGFR
SCHEMBL22803772 0.77 IGF1R (0.46) GRM4CYP1A2FGFR2FLT3EGFR
SCHEMBL8877814 0.76 MAPT (0.54) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2975973 0.74 PRKCQ (0.55) PRKCQPRKCDLYNFGFR2FLT3

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-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 GRM4 3273/4885HPGD 2483/4885NPC1 1800/4885

“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.