SCHEMBL2016547

SCHEMBL2016547

COC(=O)c1nc(C)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
DHODH Q02127 1/20 0.44
RPS6KB1 P23443 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
NTRK2 Q16620 1/20 0.43
AURKB Q96GD4 1/20 0.43
PLA2G2A P14555 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PDE5A O76074 1/20 0.39
TACR3 P29371 1/20 0.39

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
SCHEMBL2012012 0.87 PIN1 (0.49) DHODH
SCHEMBL2163437 0.86 TRPM8 (0.44) DHODHTRPM8CASP3
SCHEMBL2035653 0.83 TRPM8 (0.51) SMN1; SMN2TRPM8TACR3CASP3
SCHEMBL6955300 0.73 SMN1; SMN2 (0.52) SMN1; SMN2DHODHRPS6KB1CSNK1DGSK3A
SCHEMBL13440420 0.73 MEN1 (0.49) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL521897 0.72 RNASEH1 (0.48) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL30829469 0.72 LMNA (0.46) SMN1; SMN2RPS6KB1CSNK1DGSK3AGSK3B
SCHEMBL269910 0.72 KDM4E (0.51) SMN1; SMN2RPS6KB1CSNK1DGSK3AGSK3B
SCHEMBL12632913 0.72 PTPN11 (0.43) SMN1; SMN2MAPTKDM4EHSD17B10TRPM8
SCHEMBL2011675 0.72 TRPM8 (0.43) KDM4EALDH1A1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 SMN1; SMN2 4640/4885DHODH 4416/4885RPS6KB1 133/4885

“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.