SCHEMBL4842004

SCHEMBL4842004

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.40
MAPK11 Q15759 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
CTSA P10619 1/20 0.34
FFAR1 O14842 1/20 0.34
DGAT2 Q96PD7 1/20 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
SCHEMBL4844747 0.95 MAPK14 (0.38) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4845132 0.91 MAPK14 (0.41) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4844592 0.90 MAPK14 (0.43) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4844959 0.87 CCNT1 (0.39) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4844737 0.85 MAPK14 (0.41) MAPK14MAPK11LPAR2CTSADGAT2
SCHEMBL4837403 0.85 MAPK14 (0.42) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4013149 0.85 MAPK14 (0.40) MAPK14MAPK11CTSA
SCHEMBL4844902 0.85 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4833047 0.85 MAPK14 (0.41) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL14019008 0.84 MAPK14 (0.39) MAPK14MAPK11LPAR2CTSADGAT2

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 4 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 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 70/4885MAPK11 75/4885LPAR2 2118/4885

“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.