SCHEMBL19650877

SCHEMBL19650877

CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccncc3)c2F)C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
AURKA O14965 6/20 0.37
RPS6KB1 P23443 6/20 0.37
AURKB Q96GD4 3/20 0.37
KDR P35968 6/20 0.36
FLT1 P17948 4/20 0.36
LMNA P02545 1/20 0.35
RORC P51449 2/20 0.35
CNR1 P21554 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL19640464 0.94 EGFR (0.41) EGFRAURKARPS6KB1AURKBKDR
SCHEMBL19650876 0.91 AURKA (0.37) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650879 0.88 VNN1 (0.38) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650857 0.88 AURKA (0.33) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650873 0.87 AURKA (0.35) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650897 0.87 AURKA (0.33) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650844 0.87 PDE10A (0.38) EGFRAURKARPS6KB1AURKBLMNA
SCHEMBL19650875 0.87 AURKA (0.36) EGFRAURKARPS6KB1AURKBKDR
SCHEMBL19650845 0.86 RPS6KB1 (0.42) AURKARPS6KB1AURKBRORC
SCHEMBL19640415 0.86 AURKA (0.43) EGFRAURKARPS6KB1AURKBLMNA

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 EGFR 1169/4885AURKA 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.