SCHEMBL4844592

SCHEMBL4844592

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.43
LPAR2 Q9HBW0 1/20 0.40
FFAR1 O14842 2/20 0.39
CTSA P10619 4/20 0.37
MAPK11 Q15759 1/20 0.37
PDE10A Q9Y233 1/20 0.36
FABP3 P05413 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
SCHEMBL4845132 0.92 MAPK14 (0.41) MAPK14LPAR2FFAR1CTSAMAPK11
SCHEMBL4837403 0.92 MAPK14 (0.42) MAPK14LPAR2FFAR1CTSAMAPK11
SCHEMBL4842004 0.90 MAPK14 (0.40) MAPK14LPAR2FFAR1CTSAMAPK11
SCHEMBL4841030 0.90 MAPK14 (0.41) MAPK14LPAR2FFAR1CTSAMAPK11
SCHEMBL4844959 0.89 CCNT1 (0.39) MAPK14LPAR2FFAR1CTSAMAPK11
SCHEMBL4833047 0.87 MAPK14 (0.41) MAPK14LPAR2FFAR1CTSAMAPK11
SCHEMBL4841418 0.87 MAPK14 (0.41) MAPK14LPAR2MAPK11
SCHEMBL4842380 0.87 MAPK14 (0.39) MAPK14
SCHEMBL4013149 0.86 MAPK14 (0.40) MAPK14CTSAMAPK11
SCHEMBL4844747 0.86 MAPK14 (0.38) MAPK14LPAR2FFAR1CTSAMAPK11

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 5 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-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-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 70/4885LPAR2 2118/4885FFAR1 1373/4885

“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.