SCHEMBL4012235

SCHEMBL4012235

CSc1ncc(C(=O)c2ccccc2Cl)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
AHR P35869 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4013823 0.87 MAPT (0.48) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL4017053 0.81 KMT2A (0.50) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL14875502 0.79 MAPT (0.47) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL16824917 0.77 RXFP1 (0.55) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL14875698 0.77 MAPT (0.46) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL2226205 0.77 MEN1 (0.60) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL5656811 0.77 MEN1 (0.51) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL17773665 0.77 MEN1 (0.51) MAPTLMNAKDM4EHPGDKMT2A
SCHEMBL14004197 0.76 MAPK13 (0.44) MAPTLMNAKDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL10559938 0.75 MEN1 (0.58) MAPTLMNAKDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101242832-B Fused pyrazole as p38 MAP kinase inhibitors HOFFMANN LA ROCHE 2011-08-10 CN 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-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
CN-101242832-A Fused pyrazole as p38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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
CN-1934111-A Heteroaryl-fused pyrazolo derivatives ROCHE PALO ALTO LLC (CH) 2007-03-21 CN disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO 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 MAPT 576/4885LMNA 2067/4885KDM4E 4518/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAPT 3249/4885LMNA 2771/4885KDM4E 3589/4885

“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.