Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014901

SCHEMBL4014901

SCHEMBL4014901

CSc1nc(Cl)c2c(-c3ccccc3Cl)n[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.45
▸ DCUN1D1 Q96GG9 2/20 0.44
▸ MAPK14 Q16539 1/20 0.41
▸ AURKA O14965 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ EPHA4 P54764 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ ALPL P05186 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL4013983 0.87 HSP90AA1 (0.49) HSP90AA1DCUN1D1MAPK14AURKAKDR
SCHEMBL14019129 0.83 KDM4E (0.48) HSP90AA1DCUN1D1PPARGALPLNPC1
SCHEMBL4020866 0.83 DCUN1D1 (0.42) HSP90AA1DCUN1D1HTR7EPHA4GSK3A
SCHEMBL4013980 0.82 HSP90AA1 (0.41) HSP90AA1DCUN1D1MAPK14PPARGNPC1
SCHEMBL4020686 0.78 KMT2A (0.37) HSP90AA1DCUN1D1MAPK14AURKAKDR
SCHEMBL4020677 0.78 KMT2A (0.37) HSP90AA1DCUN1D1MAPK14AURKAKDR
SCHEMBL4011970 0.77 AURKA (0.47) HSP90AA1DCUN1D1MAPK14AURKAKDR
SCHEMBL13764858 0.77 GRM4 (0.41) MAPK14PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL16447913 0.74 AURKA (0.43) HSP90AA1DCUN1D1MAPK14AURKAKDR
SCHEMBL4231717 0.73 HSP90AA1 (0.57) HSP90AA1DCUN1D1MAPK14AURKAKDR

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 20 patents. 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-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
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
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 HSP90AA1 2986/4885DCUN1D1 2763/4885MAPK14 70/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 HSP90AA1 211/4885DCUN1D1 2074/4885MAPK14 33/4885
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAPK9, MAPK3 HSP90AA1 1631/4885DCUN1D1 2785/4885MAPK14 22/4885

“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.