SCHEMBL4913329

SCHEMBL4913329

O=C(NOC(F)(F)c1ccc(F)c(F)c1F)c1nc2ccncc2n1Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.46
ENPP2 Q13822 2/20 0.45
NLRP3 Q96P20 2/20 0.44
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4913319 0.78 TP53 (0.49) TP53POLBMAPTHPGDENPP2
SCHEMBL4903916 0.77 TP53 (0.67) TP53POLBMAPTHPGDENPP2
SCHEMBL4913324 0.77 TP53 (0.47) TP53POLBMAPTHPGDENPP2
SCHEMBL4909240 0.76 TP53 (0.50) TP53POLBMAPTHPGDENPP2
SCHEMBL1684151 0.73 MMP13 (0.36)
SCHEMBL2945254 0.72 MMP13 (0.41)
SCHEMBL4904741 0.69 TP53 (0.56) TP53POLBMAPTENPP2NLRP3
SCHEMBL4914226 0.66 HDAC3 (0.47) TP53POLBMAPTHPGDENPP2
SCHEMBL30100363 0.64 ENPP2 (0.75) TP53POLBMAPTENPP2THRB
SCHEMBL17966843 0.64 ENPP2 (0.75) TP53POLBMAPTENPP2THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB TP53 1937/4885POLB 3/4885MAPT 1998/4885

“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.