SCHEMBL955784

SCHEMBL955784

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
PIK3C3 Q8NEB9 9/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSK3B P49841 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
LIMK1 P53667 1/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 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
SCHEMBL953980 0.88 PIK3C3 (0.46) KDM4EPIK3C3JAK2JAK1TYK2
SCHEMBL956050 0.88 CDC7 (0.49) KDM4EALDH1A1MAPTPIK3C3JAK2
SCHEMBL12947671 0.87 KDM4E (0.52) KDM4EALDH1A1MAPTPIK3C3MAPK14
SCHEMBL954001 0.84 CDC7 (0.46) PIK3C3JAK2JAK1TYK2CDC7
SCHEMBL954140 0.83 CDC7 (0.69) CDC7DBF4MAPK14GSK3BMEN1
SCHEMBL6842866 0.83 PIK3C3 (0.42) PIK3C3JAK2JAK1TYK2CDC7
SCHEMBL6845077 0.82 CDC7 (0.47) ALDH1A1JAK2JAK1TYK2CDC7
SCHEMBL6845087 0.80 CDC7 (0.45) PIK3C3JAK2JAK1TYK2CDC7
SCHEMBL12947668 0.76 PIK3C3 (0.43) KDM4EALDH1A1MAPTPIK3C3MAPK14
SCHEMBL954260 0.76 CDC7 (0.60) KDM4EALDH1A1MAPTCDC7DBF4

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 10 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
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 KDM4E 2304/4885ALDH1A1 728/4885MAPT 4530/4885

“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.