SCHEMBL4841342

SCHEMBL4841342

CC(O)C(Nc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.40
MAPK11 Q15759 1/20 0.37
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSA P10619 1/20 0.32
DGAT2 Q96PD7 2/20 0.31
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL14018983 1.00 MAPK14 (0.40) MAPK14MAPK11ALOX5APFEN1TRPA1
SCHEMBL4837496 0.90 MAPK14 (0.42) MAPK14MAPK11TRPA1CTSA
SCHEMBL14018995 0.90 MAPK14 (0.42) MAPK14MAPK11TRPA1CTSA
SCHEMBL14018978 0.88 MAPK14 (0.38) MAPK14MAPK11CTSADGAT2AXL
SCHEMBL4842915 0.88 MAPK14 (0.38) MAPK14MAPK11CTSADGAT2AXL
SCHEMBL4842888 0.88 MAPK14 (0.41) MAPK14MAPK11TRPA1CTSADGAT2
SCHEMBL14019012 0.88 MAPK14 (0.41) MAPK14MAPK11TRPA1CTSADGAT2
SCHEMBL14019020 0.84 MAPK14 (0.44) MAPK14MAPK11TRPA1CTSAAXL
SCHEMBL4841173 0.84 MAPK14 (0.44) MAPK14MAPK11TRPA1CTSAAXL
SCHEMBL4840993 0.84 MAPK14 (0.43) MAPK14MAPK11TRPA1CTSADGAT2

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 3 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-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-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 (1 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 70/4885MAPK11 75/4885ALOX5AP 3291/4885

“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.