SCHEMBL4840746

SCHEMBL4840746

Fc1ccc(Oc2nc(NCC3COCCO3)c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.39
KDR P35968 1/20 0.34
SCN5A Q14524 1/20 0.33
CCNT1 O60563 2/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
MAPK11 Q15759 1/20 0.32
BTK Q06187 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL14019079 0.93 MAPK14 (0.42) MAPK14KDRMETAXLTYRO3
SCHEMBL4837351 0.90 ALDH1A1 (0.42) MAPK14METAXLTYRO3MERTK
SCHEMBL4840435 0.85 MAPK14 (0.35) MAPK14MAPK11
SCHEMBL4840688 0.82 MAPK14 (0.45) MAPK14SCN5ACCNT1METAXL
SCHEMBL14018929 0.82 MAPK14 (0.45) MAPK14
SCHEMBL4844405 0.82 MAPK14 (0.45) MAPK14
SCHEMBL14018947 0.81 MAPK14 (0.41) MAPK14TYRO3MAPK11
SCHEMBL4841405 0.81 MAPK14 (0.41) MAPK14TYRO3MAPK11
SCHEMBL4833425 0.81 MAPK14 (0.38) MAPK14MAPK11
SCHEMBL4832587 0.81 CYP1A2 (0.44) MAPK14CCNT1KDM4EALDH1A1HPGD

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 3 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-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 70/4885KDR 2456/4885SCN5A 3456/4885

“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.