SCHEMBL3549977

SCHEMBL3549977

CSc1ncc(C#N)c(-c2cnc3c(OC(F)F)cccn23)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
IGF1R P08069 2/20 0.32
BRD4 O60885 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KCNN4 O15554 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL3553100 0.88 KDM4E (0.39) IGF1RBRD4CDK2KDM4E
SCHEMBL3558659 0.87 CYP1A2 (0.35) IGF1RBRD4CDK2KDM4EGABRA1
SCHEMBL2197951 0.85 GABRA1 (0.32) IGF1RKDM4EGABRA1GABRG2GABRB3
SCHEMBL3552402 0.83 GABRA1 (0.38) IGF1RKDM4EGABRA1GABRG2GABRB3
SCHEMBL2200361 0.82 KDM4E (0.42) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL3558571 0.82 IGF1R (0.33) IGF1RBRD4CDK2KDM4EGABRA1
SCHEMBL3554797 0.82 ABL1 (0.33) IGF1RBRD4CDK2KDM4EGABRA1
SCHEMBL2200414 0.81 BRD4 (0.38) IGF1RBRD4KDM4EGABRA1GABRG2
SCHEMBL3546212 0.81 BRD4 (0.34) IGF1RBRD4KDM4EGABRA1GABRG2
SCHEMBL2198656 0.79 BRD4 (0.35) IGF1RBRD4CDK2KDM4EGABRA1

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 PDE10A 2790/4885IGF1R 101/4885BRD4 38/4885

“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.