SCHEMBL4840825

SCHEMBL4840825

OCC1CCN(c2nc(Oc3ccc(F)cc3F)nc3[nH]nc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.38
LRRK2 Q5S007 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CNR1 P21554 3/20 0.34
PTPN11 Q06124 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
GPR6 P46095 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
SCHEMBL4835892 0.94 MAPK14 (0.37) MAPK14CHRM2CHRM1CHRM3CHRM4
SCHEMBL4837825 0.91 MAPK14 (0.39) MAPK14LRRK2CHRM2CHRM1CHRM3
SCHEMBL4833098 0.88 MAPK14 (0.38) MAPK14LRRK2CHRM2CHRM1CHRM3
SCHEMBL4836118 0.88 MAPK14 (0.36) MAPK14
SCHEMBL4842618 0.86 MAPK14 (0.37) MAPK14
SCHEMBL4837598 0.86 ALDH1A1 (0.42) MAPK14LRRK2
SCHEMBL4833380 0.86 METAP2 (0.37) MAPK14SCN9A
SCHEMBL4832890 0.85 LRRK2 (0.39) MAPK14LRRK2CHRM2CHRM1CHRM3
SCHEMBL4833720 0.85 KDM4E (0.38) MAPK14
SCHEMBL4840914 0.82 MAPK14 (0.48) MAPK14CNR1GPR6

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 70/4885LRRK2 421/4885CHRM2 1598/4885

“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.