SCHEMBL4479823

SCHEMBL4479823

OCC(O)CNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.39
AXL P30530 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
MET P08581 1/20 0.37
MAPK11 Q15759 1/20 0.36
SCN9A Q15858 2/20 0.35
TRPA1 O75762 1/20 0.34
NTRK1 P04629 2/20 0.33

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
SCHEMBL14018784 1.00 MAPK14 (0.39) MAPK14AXLTYRO3MERTKMET
SCHEMBL4832715 0.93 SCN9A (0.35) MAPK14AXLTYRO3MERTKMET
SCHEMBL14018797 0.93 SCN9A (0.35) MAPK14AXLTYRO3MERTKMET
SCHEMBL4836387 0.91 MAPK14 (0.39) MAPK14MAPK11TRPA1
SCHEMBL14018823 0.91 MAPK14 (0.37) MAPK14AXLTYRO3MERTKMET
SCHEMBL4841136 0.91 MAPK14 (0.37) MAPK14AXLTYRO3MERTKMET
SCHEMBL14018819 0.91 MAPK14 (0.42) MAPK14AXLTYRO3MERTKMET
SCHEMBL4017603 0.91 MAPK14 (0.42) MAPK14AXLTYRO3MERTKMET
SCHEMBL4017610 0.91 MAPK14 (0.42) MAPK14AXLTYRO3MERTKMET
SCHEMBL14018843 0.89 MAPK14 (0.41) MAPK14AXLTYRO3MERTKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
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-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-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US 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 (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 MAPK14 70/4885AXL 493/4885TYRO3 442/4885
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAPK9, MAPK3 MAPK14 22/4885AXL 1795/4885TYRO3 501/4885

“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.