SCHEMBL2039744

SCHEMBL2039744

OCc1cc(Cl)c2conc2c1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.36
ACLY P53396 1/20 0.36
GCGR P47871 1/20 0.34
ADORA1 P30542 1/20 0.33
SCN9A Q15858 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
PIK3CD O00329 1/20 0.32
ESR2 Q92731 1/20 0.32
GRIN2B Q13224 2/20 0.32
GRM5 P41594 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32

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
SCHEMBL2041671 0.80 ACLY (0.36) ACLYSCN9AGRM5
SCHEMBL2035181 0.80 PIK3CD (0.40) NT5EACLYGCGRPIK3CDGRIN2B
SCHEMBL2018513 0.79 NT5E (0.38) NT5EACLYGRM5GABRPGABRD
SCHEMBL2037421 0.77 BCL2 (0.41) NT5EGCGRADORA1PIK3CDGRM5
SCHEMBL12470347 0.75 PIK3CD (0.38) NT5EPIK3CDTP53
SCHEMBL15621559 0.75 PIK3CD (0.38) NT5EADORA1PIK3CDADORA2ATP53
SCHEMBL2166300 0.72 PIK3CD (0.36) SCN9APIK3CDGRM5
SCHEMBL2019261 0.70 PIK3CD (0.44) NT5EACLYGCGRADORA1PIK3CD
SCHEMBL2015779 0.68 PIK3CD (0.44) PIK3CDKDM4EALDH1A1MAPK1HTT
SCHEMBL18584769 0.68 ESR2 (0.50) NT5EESR2ALDH1A1

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 6 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
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 NT5E 4372/4885ACLY 1988/4885GCGR 251/4885

“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.