SCHEMBL953980

SCHEMBL953980

CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(N)s2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
GSK3B P49841 4/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL955784 0.88 KDM4E (0.52) PIK3C3JAK2JAK1TYK2GSK3B
SCHEMBL12947668 0.88 PIK3C3 (0.43) PIK3C3GSK3BMAPK14KDM4E
SCHEMBL956050 0.87 CDC7 (0.49) PIK3C3JAK2JAK1TYK2GSK3B
SCHEMBL6842866 0.82 PIK3C3 (0.42) PIK3C3JAK2JAK1TYK2GSK3B
SCHEMBL954140 0.82 CDC7 (0.69) GSK3BCDC7DBF4MAPK14MEN1
SCHEMBL954001 0.81 CDC7 (0.46) PIK3C3JAK2JAK1TYK2GSK3B
SCHEMBL6845087 0.80 CDC7 (0.45) PIK3C3JAK2JAK1TYK2GSK3B
SCHEMBL6845077 0.80 CDC7 (0.47) JAK2JAK1TYK2GSK3BCDC7
SCHEMBL543635 0.76 POLB (0.51) SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12947671 0.76 KDM4E (0.52) PIK3C3GSK3BMAPK14KDM4E

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 9 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
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN 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
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
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 PIK3C3 61/4885JAK2 44/4885JAK1 142/4885

“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.