SCHEMBL4903864

SCHEMBL4903864

COC(=O)c1nc2cnccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GPR6 P46095 3/20 0.41
MAPT P10636 1/20 0.40
PTAFR P25105 1/20 0.40
TBXA2R P21731 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4913896 0.86 HDAC1 (0.47) BRD4GPR6PTAFRTBXA2RHDAC3
SCHEMBL4904741 0.84 TP53 (0.56) TP53POLBMAPT
SCHEMBL23624032 0.78 RPS6KA5 (0.49) POLB
SCHEMBL4914226 0.77 HDAC3 (0.47) TP53POLBGPR6MAPTHDAC3
SCHEMBL4903916 0.76 TP53 (0.67) TP53POLBMAPT
SCHEMBL8567946 0.71 HDAC3 (0.57) BRD4PTAFRHDAC3HDAC4HDAC1
SCHEMBL8324186 0.70 HDAC3 (0.56) BRD4PTAFRHDAC3HDAC4HDAC1
SCHEMBL3024357 0.69 MAPT (0.48) TP53POLBMAPT
SCHEMBL2952549 0.67 PPARG (0.50) HDAC6
SCHEMBL2950674 0.67 PPARG (0.51) MAPT

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 BRD4 476/4885TP53 1937/4885POLB 3/4885

“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.