Sugi Predict

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SCHEMBL4020677

SCHEMBL4020677

CSc1nc(NC[C@H](C)O)c2c(-c3ccccc3Cl)n[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ MAPK14 Q16539 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4020686 1.00 KMT2A (0.37) KMT2APPARGHSP90AA1DCUN1D1MAPK14
SCHEMBL4832973 0.83 GSK3B (0.33) MAPK14AURKAAURKB
SCHEMBL14018786 0.83 GSK3B (0.33) MAPK14AURKAAURKB
SCHEMBL4559659 0.82 MAPK14 (0.37) HSP90AA1DCUN1D1MAPK14CHEK1CDK1
SCHEMBL4559658 0.82 MAPK14 (0.37) HSP90AA1DCUN1D1MAPK14CHEK1CDK1
SCHEMBL4014901 0.78 HSP90AA1 (0.45) KMT2APPARGHSP90AA1DCUN1D1MAPK14
SCHEMBL4833086 0.78 SCN9A (0.34) —
SCHEMBL14018946 0.78 SCN9A (0.34) —
SCHEMBL14018790 0.78 MAPK14 (0.33) MAPK14
SCHEMBL4842141 0.78 MAPK14 (0.33) MAPK14

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — 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-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 — — US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
EP-1919914-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME 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-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
WO-2007023115-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 — — EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 — — US 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 KMT2A 2973/4885PPARG 956/4885HSP90AA1 2986/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 KMT2A 3122/4885PPARG 2821/4885HSP90AA1 211/4885
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAPK9, MAPK3 KMT2A 3245/4885PPARG 2441/4885HSP90AA1 1631/4885

“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.