SCHEMBL3546212

SCHEMBL3546212

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
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
HSP90AB1 P08238 3/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
IGF1R P08069 1/20 0.30
GABRA2 P47869 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2198656 0.90 BRD4 (0.35) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3546879 0.89 IGF1R (0.34) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3552402 0.86 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3558659 0.85 CYP1A2 (0.35) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3558571 0.84 IGF1R (0.33) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3554797 0.84 ABL1 (0.33) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2200361 0.84 KDM4E (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2200414 0.84 BRD4 (0.38) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2197951 0.83 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3553100 0.82 KDM4E (0.39) BRD4IGF1RKDM4E

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 BRD4 38/4885GABRA1 4631/4885GABRG2 4561/4885

“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.