SCHEMBL3554797

SCHEMBL3554797

CSc1ncc(C#N)c(-c2cnc3c(Br)cccn23)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 5/20 0.32
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
IGF1R P08069 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HSP90AB1 P08238 3/20 0.31
CDK2 P24941 1/20 0.31
BRD4 O60885 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL3558571 0.88 IGF1R (0.33) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2200361 0.88 KDM4E (0.42) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2200414 0.87 BRD4 (0.38) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL3552402 0.87 GABRA1 (0.38) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2198656 0.85 BRD4 (0.35) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL3553100 0.85 KDM4E (0.39) KDRKDM4EIGF1RCDK2BRD4
SCHEMBL3546879 0.84 IGF1R (0.34) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2197951 0.84 GABRA1 (0.32) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL2198235 0.84 KDM4E (0.32) IRAK4KDM4EGABRA1GABRG2GABRB3
SCHEMBL3546212 0.84 BRD4 (0.34) IRAK4KDM4EGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A ABL1 97/4885KDR 2133/4885IRAK4 720/4885

“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.