SCHEMBL954943

SCHEMBL954943

C=CCn1ccnc1-c1sc(-c2c(C)nn3ccccc23)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
ALDH1A1 P00352 1/20 0.30
DCTPP1 Q9H773 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL12918472 0.79 DPP4 (0.36) L3MBTL1MEN1KMT2AUSP2HSD17B10
SCHEMBL956725 0.78 L3MBTL1 (0.36) L3MBTL1MAPK14OPRM1OPRD1MEN1
SCHEMBL958018 0.78 NPC1 (0.33) DPP4MAPT
SCHEMBL953513 0.76 EGLN2 (0.35) L3MBTL1MEN1KMT2AUSP2DPP4
SCHEMBL12918598 0.74 EGLN2 (0.32) NPSR1MAPT
SCHEMBL953304 0.73 CLK1 (0.32) DPP4
SCHEMBL953330 0.72 PIK3C3 (0.40) MAPK14MEN1KMT2AMAPT
SCHEMBL953026 0.72 HSD11B1 (0.32) DPP4
SCHEMBL955195 0.72 ESR1 (0.36) L3MBTL1MEN1KMT2ADPP4MAPK1
SCHEMBL17089252 0.71 LIMK1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 L3MBTL1 1465/4885MAPK14 899/4885OPRM1 1901/4885

“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.