SCHEMBL3552402

SCHEMBL3552402

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.38
GABRG2 P18507 9/20 0.38
GABRB3 P28472 9/20 0.38
GABRA3 P34903 9/20 0.38
GABRA5 P31644 7/20 0.38
MAP4K1 Q92918 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HSP90AB1 P08238 1/20 0.33
FLT3 P36888 1/20 0.32
IGF1R P08069 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GABRA2 P47869 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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 0.87 IGF1R (0.33) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3554797 0.87 ABL1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2200361 0.87 KDM4E (0.42) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2200414 0.86 BRD4 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3546212 0.86 BRD4 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2197951 0.86 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3553100 0.84 KDM4E (0.39) IGF1RKDM4E
SCHEMBL2198656 0.84 BRD4 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3558659 0.84 CYP1A2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3546879 0.84 IGF1R (0.34) GABRA1GABRG2GABRB3GABRA3GABRA5

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 GABRA1 4631/4885GABRG2 4561/4885GABRB3 4335/4885

“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.