SCHEMBL4904745

SCHEMBL4904745

COC(=O)c1nccc2c1ncn2Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.53
YTHDC1 Q96MU7 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPK14 Q16539 1/20 0.41
MMP13 P45452 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4903920 0.84 HSP90AA1 (0.47) CYP11B1CYP11B2HSP90AA1HSP90B1KDM4E
SCHEMBL4903870 0.84 CYP2C19 (0.44) EGLN1ALDH1A1MAPK14MAPT
SCHEMBL20591088 0.79 CYP11B2 (0.48) YTHDC1CYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL28430515 0.77 PKM (0.57) YTHDC1CYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL5832076 0.74 MMP13 (0.45) EGLN1CYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL2945788 0.73 MMP13 (0.48) CYP11B1CYP11B2HSP90AA1HSP90B1ALDH1A1
SCHEMBL2946785 0.73 CYP11B1 (0.46) CYP11B1CYP11B2HSP90AA1HSP90B1ALDH1A1
SCHEMBL1082082 0.71 EGLN3 (0.52) EGLN1YTHDC1HSP90AA1HSP90B1ALDH1A1
SCHEMBL22533905 0.70 EGLN1 (0.51) EGLN1YTHDC1PKMTSHR
SCHEMBL29424721 0.70 EGLN1 (0.51) EGLN1YTHDC1PKMTSHR

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 EGLN1 311/4885YTHDC1 4422/4885CYP11B1 1112/4885

“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.