SCHEMBL4013244

SCHEMBL4013244

COc1ccccc1C(=O)c1nnc(Cl)cc1SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RORB Q92753 5/20 0.42
RORC P51449 4/20 0.42
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
STAT3 P40763 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ESRRA P11474 1/20 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
SCHEMBL4014853 0.85 TSHR (0.36) TSHRL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4015504 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1RAB9ASMN1; SMN2RORB
SCHEMBL4013203 0.76 TSHR (0.40) TSHRL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3440477 0.74 TSHR (0.63) TSHRL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL322168 0.70 CTSD (0.62) RAB9ASMN1; SMN2HSD17B10CNR2STAT3
SCHEMBL29658169 0.70 CTSD (0.62) RAB9ASMN1; SMN2HSD17B10CNR2STAT3
SCHEMBL11712329 0.69 CNR2 (0.47) L3MBTL1RAB9ASMN1; SMN2HSD17B10RORB
SCHEMBL27789892 0.68 CTSD (0.60) RAB9ASMN1; SMN2HSD17B10CNR2STAT3
SCHEMBL17770569 0.68 LMNA (0.60) L3MBTL1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL20892729 0.68 RORB (0.60) TSHRL3MBTL1ALDH1A1RAB9ASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 TSHR 4181/4885L3MBTL1 727/4885ALDH1A1 3313/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 TSHR 1840/4885L3MBTL1 1743/4885ALDH1A1 2726/4885

“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.