SCHEMBL1355429

SCHEMBL1355429

COc1cccc(-n2ncc3c(Cl)nc(SC)nc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.47
NPBWR1 P48145 2/20 0.47
MCHR1 Q99705 2/20 0.47
CYP17A1 P05093 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1353681 0.86 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTTLMNANPBWR1
SCHEMBL1356011 0.86 TSHR (0.50) SMN1; SMN2TSHRHTTLMNACYP17A1
SCHEMBL839950 0.78 SLC2A1 (0.60) SMN1; SMN2HTTLMNACYP17A1CYP1A2
SCHEMBL60445 0.77 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTTLMNACYP1A2
SCHEMBL30596268 0.75 NPBWR1 (0.48) SMN1; SMN2TSHRHTTLMNANPBWR1
SCHEMBL23187401 0.74 GRM1 (0.42) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL1355714 0.74 NPBWR1 (0.44) SMN1; SMN2LMNANPBWR1MCHR1ALDH1A1
SCHEMBL1353714 0.72 TSHR (0.53) SMN1; SMN2TSHRHTTLMNACYP17A1
SCHEMBL1355636 0.72 SMN1; SMN2 (0.51) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL26525969 0.71 ALDH1A1 (0.48) SMN1; SMN2TSHRHTTLMNANPBWR1

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 SMN1; SMN2 2274/4885TSHR 4502/4885HTT 4382/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B SMN1; SMN2 1911/4885TSHR 4542/4885HTT 3874/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 SMN1; SMN2 2274/4885TSHR 4502/4885HTT 4382/4885

“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.