SCHEMBL4840461

SCHEMBL4840461

CC(CO)Nc1nc(Sc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.37
HTR1B P28222 1/20 0.37
CX3CR1 P49238 1/20 0.37
DGAT2 Q96PD7 2/20 0.36
CCR7 P32248 3/20 0.35
AURKA O14965 1/20 0.33
GSK3B P49841 1/20 0.33
AURKB Q96GD4 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
SCHEMBL14018799 1.00 CXCR2 (0.37) CXCR2HTR1BCX3CR1DGAT2CCR7
SCHEMBL4832973 0.86 GSK3B (0.33) DGAT2AURKAGSK3BAURKB
SCHEMBL14018786 0.86 GSK3B (0.33) DGAT2AURKAGSK3BAURKB
SCHEMBL14018785 0.82 MAPK14 (0.45)
SCHEMBL4840856 0.82 MAPK14 (0.45)
SCHEMBL4833090 0.78 CXCR2 (0.38) CXCR2DGAT2CCR7
SCHEMBL14018795 0.78 CXCR2 (0.38) CXCR2DGAT2CCR7
SCHEMBL4840993 0.74 MAPK14 (0.43) DGAT2
SCHEMBL14018866 0.74 MAPK14 (0.43) DGAT2
SCHEMBL14018869 0.74 MAPK14 (0.43) DGAT2

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 CXCR2 69/4885HTR1B 1404/4885CX3CR1 97/4885

“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.