SCHEMBL952120

SCHEMBL952120

C=CCn1ccnc1-c1sc(-c2ncnc3sc(NC(C)=O)nc23)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DYRK1A Q13627 1/20 0.33
FSCN1 Q16658 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALOX12 P18054 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 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
SCHEMBL953304 0.85 CLK1 (0.32)
SCHEMBL953330 0.80 PIK3C3 (0.40) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL954375 0.79 DYRK1A (0.36) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL12918472 0.74 DPP4 (0.36) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17089250 0.73 LIMK1 (0.38) MAPTKMT2AMEN1SMN1; SMN2DYRK1A
SCHEMBL958018 0.73 NPC1 (0.33) MAPTNPC1RAB9A
SCHEMBL954525 0.72 CDC7 (0.41) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL953513 0.71 EGLN2 (0.35) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL12918598 0.71 EGLN2 (0.32) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL12918612 0.69 KDM4E (0.31)

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 8 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
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

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 MAPT 4530/4885KMT2A 2459/4885MEN1 1649/4885

“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.