SCHEMBL19650889

SCHEMBL19650889

C#Cc1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
AURKA O14965 15/20 0.36
RPS6KB1 P23443 15/20 0.36
AURKB Q96GD4 5/20 0.35
HTR2A P28223 1/20 0.33
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 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
SCHEMBL19640483 0.91 NSD2 (0.40) RORCAURKARPS6KB1AURKB
SCHEMBL19640764 0.89 AURKA (0.42) RORCAURKARPS6KB1AURKB
SCHEMBL19640477 0.87 RPS6KB1 (0.48) RORCAURKARPS6KB1AURKB
SCHEMBL19640482 0.87 RORC (0.39) RORCAURKARPS6KB1AURKBHTR2A
SCHEMBL19640448 0.86 RORC (0.38) RORCAURKARPS6KB1AURKBHTR2A
SCHEMBL19640735 0.86 AURKA (0.38) RORCAURKARPS6KB1AURKB
SCHEMBL19650845 0.85 RPS6KB1 (0.42) RORCAURKARPS6KB1AURKB
SCHEMBL19640438 0.85 RPS6KB1 (0.47) RORCAURKARPS6KB1AURKB
SCHEMBL19640527 0.84 VNN1 (0.39) RORCAURKARPS6KB1AURKB
SCHEMBL19640661 0.84 RORC (0.42) RORCAURKARPS6KB1AURKB

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-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 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-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC RORC 3/4885AURKA 1448/4885RPS6KB1 1118/4885

“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.