SCHEMBL4844554

SCHEMBL4844554

CC(C)(O)CNc1nc(Oc2ccccc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CTSA P10619 2/20 0.34
MET P08581 2/20 0.32
AXL P30530 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK14 Q16539 4/20 0.31
ALPL P05186 1/20 0.31
CNR2 P34972 1/20 0.31
KCNA5 P22460 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
PIK3CD O00329 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ESR1 P03372 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL4013149 0.93 MAPK14 (0.40) CNR1CTSAMETAXLTYRO3
SCHEMBL4837740 0.90 SCN9A (0.36) CNR1METAXLTYRO3MERTK
SCHEMBL4842141 0.86 MAPK14 (0.33) CTSAMETAXLTYRO3MERTK
SCHEMBL14018790 0.86 MAPK14 (0.33) CTSAMETAXLTYRO3MERTK
SCHEMBL4842430 0.85 MAPK14 (0.41) CNR1CTSAMAPK8MAPK14
SCHEMBL14018797 0.84 SCN9A (0.35) CTSAMETAXLTYRO3MERTK
SCHEMBL4832715 0.84 SCN9A (0.35) CTSAMETAXLTYRO3MERTK
SCHEMBL4839507 0.83 MAPK14 (0.49) CTSAMAPK14ALPLPIK3CDHSP90AA1
SCHEMBL14018795 0.83 CXCR2 (0.38) CTSAMETAXLTYRO3MERTK
SCHEMBL4833090 0.83 CXCR2 (0.38) CTSAMETAXLTYRO3MERTK

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 CNR1 1298/4885CTSA 4492/4885MET 3825/4885

“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.