SCHEMBL1679740

SCHEMBL1679740

NC(=O)c1cccc(-c2cnc(N)c(-c3ccc4[nH]ccc4c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.64
CCNT1 O60563 1/20 0.62
CCND1 P24385 1/20 0.62
CCNC P24863 1/20 0.62
CDK8 P49336 1/20 0.62
CDK7 P50613 1/20 0.62
CDK9 P50750 1/20 0.62
CCNH P51946 1/20 0.62
MNAT1 P51948 1/20 0.62
CDK6 Q00534 1/20 0.62
LRRK2 Q5S007 5/20 0.57
CHEK2 O96017 6/20 0.57
MKNK1 Q9BUB5 1/20 0.55
MAP4K4 O95819 1/20 0.53
AR P10275 1/20 0.52
PI4K2A Q9BTU6 1/20 0.50
CHEK1 O14757 1/20 0.49
RIPK1 Q13546 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
SCHEMBL982808 0.84 CCNT1 (0.62) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL1679745 0.81 PRKD3 (0.73) FYNCDK8LRRK2CHEK2MKNK1
SCHEMBL4620367 0.80 FYN (0.76) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL4621282 0.80 FYN (0.70) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL13968138 0.79 FYN (0.69) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL13977197 0.79 CHEK2 (0.66) FYNCHEK2MKNK1MAP4K4CHEK1
SCHEMBL30521785 0.78 FYN (1.00) FYNCHEK2MKNK1MAP4K4
SCHEMBL18613286 0.78 FYN (1.00) FYNCHEK2MKNK1MAP4K4
SCHEMBL1679739 0.77 FYN (0.81) FYNCHEK2MKNK1CHEK1
SCHEMBL30368585 0.77 CDK8 (1.00) FYNCCNT1CCND1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US claimed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO 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-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B FYN 1665/4885CCNT1 1364/4885CCND1 150/4885

“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.