SCHEMBL4835892

SCHEMBL4835892

OCCC1CCN(c2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GPR6 P46095 6/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CNR1 P21554 2/20 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
SCHEMBL4840825 0.94 MAPK14 (0.38) MAPK14GPR6CHRM2CHRM4CHRM5
SCHEMBL4837825 0.90 MAPK14 (0.39) MAPK14GPR6CHRM2CHRM4CHRM5
SCHEMBL4833098 0.87 MAPK14 (0.38) MAPK14CHRM2CHRM4CHRM5CHRM1
SCHEMBL4837598 0.85 ALDH1A1 (0.42) MAPK14
SCHEMBL4842618 0.85 MAPK14 (0.37) MAPK14
SCHEMBL4836118 0.85 MAPK14 (0.36) MAPK14
SCHEMBL4832890 0.84 LRRK2 (0.39) MAPK14CHRM2CHRM4CHRM5CHRM1
SCHEMBL4833720 0.83 KDM4E (0.38) MAPK14
SCHEMBL4833380 0.83 METAP2 (0.37) MAPK14
SCHEMBL4840914 0.81 MAPK14 (0.48) MAPK14GPR6CNR1

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 70/4885HTR2A 2375/4885HTR2C 2355/4885

“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.