SCHEMBL4842142

SCHEMBL4842142

COCC1(CNc2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.37
MAPK11 Q15759 1/20 0.34
TRPA1 O75762 1/20 0.32
CTSA P10619 2/20 0.32
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
JAK2 O60674 1/20 0.30
PAK4 O96013 1/20 0.30
CHEK2 O96017 1/20 0.30
EGFR P00533 1/20 0.30
NTRK1 P04629 1/20 0.30
PRKCG P05129 1/20 0.30
INSR P06213 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CDK1 P06493 1/20 0.30
CSF1R P07333 1/20 0.30
LYN P07948 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
SCHEMBL4013138 0.85 MAPK14 (0.43) MAPK14MAPK11TRPA1CTSAMAPK1
SCHEMBL4841916 0.85 MAPK14 (0.36) MAPK14MAPK11TRPA1CTSA
SCHEMBL4833425 0.84 MAPK14 (0.38) MAPK14MAPK11TRPA1
SCHEMBL4013149 0.82 MAPK14 (0.40) MAPK14MAPK11TRPA1CTSA
SCHEMBL4836387 0.82 MAPK14 (0.39) MAPK14MAPK11TRPA1CTSA
SCHEMBL14018819 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1CTSA
SCHEMBL4017610 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1CTSA
SCHEMBL4845132 0.81 MAPK14 (0.41) MAPK14MAPK11TRPA1CTSA
SCHEMBL4017603 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1CTSA
SCHEMBL4833067 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1CHEK1GRK5

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.