SCHEMBL5657480

SCHEMBL5657480

Nc1ccc(Sc2cccc3nccn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.41
ROCK1 Q13464 2/20 0.41
CHEK1 O14757 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAP4K2 Q12851 1/20 0.41
DYRK1A Q13627 1/20 0.41
AURKB Q96GD4 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
FLT1 P17948 1/20 0.38
CDK9 P50750 1/20 0.38
LIMK1 P53667 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL21540829 0.73 CDK8 (0.49) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7986539 0.73 CDK8 (0.49) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL5658100 0.73 CYP3A4 (0.37) CYP3A4TSHRMAPK1KDM1APLK4
SCHEMBL334306 0.70 CDK8 (0.53) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002023 0.70 CDK8 (0.42) CDK8ROCK1CHEK1MAP4K4CSF1R
Hydrochloric Acid SCHEMBL9001976 0.69 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
Hydrochloric Acid SCHEMBL5442637 0.69 CDK8 (0.52) CDK8ROCK1CHEK1MAP4K4CSF1R
Bromide SCHEMBL9692647 0.69 CDK8 (0.52) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL2541837 0.68 BACE1 (0.46) DYRK1ACYP3A4TSHRMAPK1KDM1A
SCHEMBL9002631 0.68 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CDK8 1137/4885ROCK1 1967/4885CHEK1 2859/4885

“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.