SCHEMBL4013980

SCHEMBL4013980

CSc1nc(C(N)=O)c2c(-c3ccccc3Cl)n[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
IKBKB O14920 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK14 Q16539 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
SLC9A1 P19634 1/20 0.36
MAP2K4 P45985 2/20 0.36
NPC1 O15118 1/20 0.35
PARP1 P09874 1/20 0.35
PAK1 Q13153 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.34
TTK P33981 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
JAK2 O60674 1/20 0.34

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 0.82 HSP90AA1 (0.49) HSP90AA1MAPTKDM4EMAPK14DCUN1D1
SCHEMBL4014901 0.82 HSP90AA1 (0.45) HSP90AA1KDM4EMAPK14DCUN1D1NPC1
SCHEMBL4020816 0.81 SLC9A1 (0.42) HSP90AA1IKBKBHSD17B10MAPTLMNA
SCHEMBL13764858 0.77 GRM4 (0.41) MAPTKDM4ELMNAMAPK14NPC1
SCHEMBL4020686 0.74 KMT2A (0.37) HSP90AA1HSD17B10MAPK14DCUN1D1KMT2A
SCHEMBL4020677 0.74 KMT2A (0.37) HSP90AA1HSD17B10MAPK14DCUN1D1KMT2A
SCHEMBL4013735 0.72 MAPK14 (0.40) MAPK14
SCHEMBL4011970 0.71 AURKA (0.47) HSP90AA1MAPTKDM4ELMNAMAPK14
SCHEMBL16447913 0.70 AURKA (0.43) HSP90AA1MAPTKDM4ELMNAMAPK14
SCHEMBL4020866 0.68 DCUN1D1 (0.42) HSP90AA1DCUN1D1NPC1ALDH1A1KMT2A

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 8 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-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
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 (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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 HSP90AA1 2986/4885IKBKB 292/4885HSD17B10 3814/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 HSP90AA1 211/4885IKBKB 132/4885HSD17B10 2842/4885

“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.