SCHEMBL4842880

SCHEMBL4842880

O=c1[nH]ncn1CCNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPK11 Q15759 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 1/20 0.31
MAPK8 P45983 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
SCHEMBL4020887 0.88 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL14019114 0.86 MAPK14 (0.36) MAPK14PDCD1LG2CD274MAPK11MAPK13
SCHEMBL4840495 0.86 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL4845211 0.85 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL4840514 0.84 SCN9A (0.42) MAPK14
SCHEMBL4841004 0.84 MAPK14 (0.40) MAPK14MAPK11BRD4MAPK8
SCHEMBL4841162 0.84 MAPK14 (0.39) MAPK14MAPK11BRD4
SCHEMBL4833744 0.84 ALDH1A1 (0.44) MAPK14MAPK11BRD4
SCHEMBL4837418 0.84 MAPK14 (0.40) MAPK14PDCD1LG2CD274MAPK11BRD4
SCHEMBL4839495 0.84 MAPK14 (0.41) MAPK14MAPK11BRD4MAPK8

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 70/4885PDCD1LG2 3085/4885CD274 4008/4885

“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.