SCHEMBL953330

SCHEMBL953330

C=CCn1ccnc1-c1sc(-c2ccnc(NC(C)=O)c2)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 15/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL954525 0.86 CDC7 (0.41) PIK3C3CDC7DBF4MAPTSMN1; SMN2
SCHEMBL958018 0.85 NPC1 (0.33) MAPTNPC1RAB9A
SCHEMBL952120 0.80 MAPT (0.33) PIK3C3MAPTSMN1; SMN2MEN1LMNA
SCHEMBL12918472 0.78 DPP4 (0.36) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL954033 0.76 CDC7 (0.46) PIK3C3CDC7DBF4MAPK14CYP3A4
SCHEMBL12918612 0.76 KDM4E (0.31)
SCHEMBL625725 0.75 MAPK14 (0.41) PIK3C3MAPK14
SCHEMBL953513 0.75 EGLN2 (0.35) MAPTSMN1; SMN2MEN1LMNAHTT
SCHEMBL12918598 0.75 EGLN2 (0.32) MAPTSMN1; SMN2LMNA
SCHEMBL12947400 0.73 MAPK14 (0.41) PIK3C3SMN1; SMN2MAPK14NPC1RAB9A

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 15 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
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 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
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-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 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 (2 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 61/4885CDC7 1063/4885DBF4 3779/4885
US-20100256172-A1 Heteroaryls and uses thereof PIK3R3, PIK3R1, AKT3 PIK3C3 20/4885CDC7 1469/4885DBF4 4379/4885

“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.