SCHEMBL17835018

SCHEMBL17835018

CCc1nc(C#N)cn1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
RPS6KB1 P23443 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL27306641 0.85 CTSK (0.36) BRD4MAPK1
SCHEMBL15473897 0.72
SCHEMBL1075866 0.70 KDM1A (0.38)
SCHEMBL21737099 0.68
SCHEMBL30125635 0.68
SCHEMBL13349041 0.68
SCHEMBL27566686 0.68
SCHEMBL17260752 0.67 BRD4 (0.37) BRD4
SCHEMBL28186546 0.65 PDE10A (0.37)
SCHEMBL26729777 0.65 TSHR (0.33) MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168170-A1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC ESTER DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-06-16 US 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-20160168170-A1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC ESTER DERIVATIVES FLT3, FES, FLT1 BRD4 2063/4885RPS6KB1 159/4885MAPK1 57/4885

“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.