SCHEMBL4833008

SCHEMBL4833008

CN1CCC(COc2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HTR4 Q13639 1/20 0.36
JAK1 P23458 1/20 0.36
AXL P30530 1/20 0.35
CHRM3 P20309 1/20 0.35
EGFR P00533 2/20 0.35
KRAS P01116 2/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL4836011 0.88 ERBB2 (0.40) MAPK14AXLEGFRTRPA1
SCHEMBL4842056 0.87 EGFR (0.40) MAPK14AXLEGFR
SCHEMBL4837999 0.84 MAPK14 (0.43) MAPK14SCN5ASCN9ATRPA1
SCHEMBL4832943 0.83 TSHR (0.39) MAPK14EGFRTRPA1
SCHEMBL4844936 0.81 MAPK14 (0.41) MAPK14EGFR
SCHEMBL4842974 0.81 MAPK14 (0.41) MAPK14TRPA1
SCHEMBL4832933 0.81 MAPK14 (0.39) MAPK14TRPA1
SCHEMBL4842618 0.81 MAPK14 (0.37) MAPK14KRASTRPA1
SCHEMBL14019109 0.81 SCN9A (0.45) MAPK14SCN5ASCN9ATRPA1
SCHEMBL13764877 0.81 MAPK14 (0.39) MAPK14TRPA1

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 70/4885SCN5A 3456/4885SCN9A 4259/4885

“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.