SCHEMBL4840688

SCHEMBL4840688

Fc1ccc(Oc2nc(NCCC3CCOCC3)c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.45
CCNT1 O60563 1/20 0.38
OPRL1 P41146 3/20 0.34
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL4832587 0.86 CYP1A2 (0.44) MAPK14CCNT1
SCHEMBL4841046 0.85 SMN1; SMN2 (0.42) MAPK14
SCHEMBL4833067 0.84 MAPK14 (0.42) MAPK14CCNT1MAPK11
SCHEMBL4840538 0.84 KMT2A (0.38) MAPK14SCN5ASCN9A
SCHEMBL4837351 0.83 ALDH1A1 (0.42) MAPK14METAXLMERTK
SCHEMBL4013138 0.83 MAPK14 (0.43) MAPK14METAXLMERTKDGAT2
SCHEMBL4842430 0.83 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4840746 0.82 MAPK14 (0.39) MAPK14CCNT1METAXLMERTK
SCHEMBL4839247 0.82 KMT2A (0.41) MAPK14SCN5ASCN9A
SCHEMBL4842831 0.82 MAPK14 (0.42) MAPK14SCN9AMAPK11

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 70/4885CCNT1 1105/4885OPRL1 3376/4885

“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.