SCHEMBL1356280

SCHEMBL1356280

COc1ccc(Cn2ncc3cnc(SC)nc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SRC P12931 2/20 0.44
ABL1 P00519 1/20 0.44
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCHR1 Q99705 1/20 0.42
MET P08581 2/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
USP1 O94782 3/20 0.39

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
SCHEMBL18587869 0.79 SRC (0.42) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1356145 0.79 ADORA2A (0.44) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1355303 0.78 NPBWR1 (0.46) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL18587545 0.77 SRC (0.41) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL18587307 0.76 SRC (0.40) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30731296 0.76 NPBWR1 (0.52) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL15545682 0.76 NPBWR1 (0.52) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL31511369 0.75 TP53 (0.46) ALDH1A1MAPTSMN1; SMN2ALOX15PDE1B
SCHEMBL2490576 0.75 ALDH1A1 (0.41) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21796911 0.75 NPBWR1 (0.48) NPBWR1ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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 (3 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 NPBWR1 3338/4885ALDH1A1 4063/4885LMNA 1636/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B NPBWR1 3489/4885ALDH1A1 4286/4885LMNA 1116/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 NPBWR1 3338/4885ALDH1A1 4063/4885LMNA 1636/4885

“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.