SCHEMBL4841017

SCHEMBL4841017

COCn1cnc(CCNc2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.39
MAPK11 Q15759 1/20 0.34
TRPA1 O75762 1/20 0.32
MAPK8 P45983 1/20 0.31
BRD4 O60885 1/20 0.30
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL4840745 0.86 MAPK14 (0.38) MAPK14MAPK11TRPA1MAPK8
SCHEMBL4013138 0.85 MAPK14 (0.43) MAPK14MAPK11TRPA1DGAT2
SCHEMBL4836498 0.85 MAPK14 (0.39) MAPK14MAPK11TRPA1MAPK8BRD4
SCHEMBL4841027 0.84 MAPK14 (0.39) MAPK14MAPK11TRPA1
SCHEMBL4844429 0.83 LPAR2 (0.40) MAPK14MAPK11
SCHEMBL4832895 0.82 MAPK14 (0.40) MAPK14MAPK11TRPA1MAPK8BRD4
SCHEMBL4015900 0.82 MAPK14 (0.41) MAPK14MAPK11MAPK8BRD4
SCHEMBL4845211 0.81 MAPK14 (0.42) MAPK14MAPK11MAPK8BRD4
SCHEMBL4842831 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1MAPK8
SCHEMBL4833067 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1

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 70/4885MAPK11 75/4885TRPA1 2797/4885

“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.