SCHEMBL3554819

SCHEMBL3554819

CSc1ncc(C#N)c(-c2cnc3c(S(C)(=O)=O)cccn23)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
IGF1R P08069 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
CDK2 P24941 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL3554797 0.84 ABL1 (0.33) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL3558571 0.84 IGF1R (0.33) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL2200361 0.84 KDM4E (0.42) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2198656 0.83 BRD4 (0.35) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL2200414 0.83 BRD4 (0.38) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL3552402 0.83 GABRA1 (0.38) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL2198235 0.82 KDM4E (0.32) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL3557071 0.81 MKNK1 (0.36) KDM4EIGF1RGABRA1GABRG2GABRB3
SCHEMBL3552658 0.81 GABRA1 (0.40) IGF1RGABRA1GABRG2GABRB3GABRA5
SCHEMBL3553100 0.81 KDM4E (0.39) KDM4EIGF1RCDK2

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 KDM4E 489/4885NR1H2 1537/4885NR1H3 1058/4885

“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.