SCHEMBL4903916

SCHEMBL4903916

COC(=O)c1nc2ccncc2n1Cc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.67
POLB P06746 2/20 0.67
ENPP2 Q13822 2/20 0.55
THRB P10828 1/20 0.55
NLRP3 Q96P20 2/20 0.54
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL4904741 0.91 TP53 (0.56) TP53POLBENPP2THRBNLRP3
SCHEMBL4909240 0.79 TP53 (0.50) TP53POLBENPP2THRBNLRP3
SCHEMBL4913319 0.79 TP53 (0.49) TP53POLBENPP2THRBNLRP3
SCHEMBL7498257 0.78 TP53 (0.66) TP53POLBTHRBNLRP3MAPT
SCHEMBL4913329 0.77 TP53 (0.49) TP53POLBENPP2THRBNLRP3
SCHEMBL4913324 0.76 TP53 (0.47) TP53POLBENPP2THRBNLRP3
SCHEMBL4903864 0.76 BRD4 (0.42) TP53POLBMAPT
SCHEMBL4784069 0.74 CYP2C19 (0.60) POLBMAPTSMN1; SMN2LMNA
SCHEMBL17966857 0.71 ENPP2 (1.00) TP53POLBENPP2HPGDGAA
SCHEMBL30100351 0.71 ENPP2 (1.00) TP53POLBENPP2HPGDGAA

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 3/4885ENPP2 3614/4885

“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.