SCHEMBL4833067

SCHEMBL4833067

NCCCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.42
STK17B O94768 4/20 0.37
STK17A Q9UEE5 4/20 0.37
MAPK11 Q15759 1/20 0.35
GRK5 P34947 1/20 0.35
TRPA1 O75762 1/20 0.35
CHEK1 O14757 1/20 0.34
CCNT1 O60563 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
SCHEMBL4844902 0.90 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4842831 0.90 MAPK14 (0.42) MAPK14MAPK11TRPA1
SCHEMBL4841418 0.89 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4841030 0.89 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL14018955 0.89 MAPK14 (0.44) MAPK14MAPK11TRPA1
SCHEMBL4013138 0.89 MAPK14 (0.43) MAPK14MAPK11TRPA1
SCHEMBL4844809 0.88 MAPK14 (0.53) MAPK14MAPK11TRPA1
SCHEMBL4833047 0.88 MAPK14 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4840924 0.88 MAPK14 (0.49) MAPK14MAPK11TRPA1
SCHEMBL4833043 0.88 MAPK14 (0.48) MAPK14MAPK11

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 2 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-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 70/4885STK17B 107/4885STK17A 119/4885

“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.