SCHEMBL12403232

SCHEMBL12403232

NCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
PIK3CD O00329 2/20 0.46
TAAR1 Q96RJ0 3/20 0.38
NT5E P21589 1/20 0.36
DPP4 P27487 2/20 0.35
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MPO P05164 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRM5 P41594 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
Trifluoroacetic Acid SCHEMBL2013841 0.91 BCL2 (0.42) BCL2PIK3CDTAAR1NT5EDPP4
SCHEMBL12491178 0.91 BCL2 (0.47) BCL2PIK3CDTAAR1NT5EDPP4
SCHEMBL2019261 0.86 PIK3CD (0.44) BCL2PIK3CDNT5ENOTUMKDM4E
Trifluoroacetic Acid SCHEMBL2012078 0.82 BCL2 (0.41) BCL2PIK3CDTAAR1NT5ECYP3A4
SCHEMBL15617701 0.82 BCL2 (0.44) BCL2PIK3CDNT5E
SCHEMBL2015599 0.79 BCL2 (0.36) BCL2PIK3CDTAAR1MPO
SCHEMBL2016433 0.79 TAAR1 (0.43) BCL2PIK3CDTAAR1DPP4NOTUM
SCHEMBL2163803 0.79 BCL2 (0.60) BCL2PIK3CDNT5ENOTUMKDM4E
SCHEMBL2017233 0.79 BCL2 (0.60) BCL2PIK3CDNT5ENOTUMKDM4E
SCHEMBL12632222 0.78 PIK3CD (0.59) BCL2PIK3CDNT5ENOTUMGRM5

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 5 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-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

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 BCL2 1174/4885PIK3CD 13/4885TAAR1 3392/4885

“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.