SCHEMBL4903920

SCHEMBL4903920

COC(=O)c1nccc2ncn(Cc3ccc(F)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90B1 P14625 1/20 0.47
MMP13 P45452 3/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DYRK1A Q13627 1/20 0.40
HSD17B13 Q7Z5P4 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
SCHEMBL5832076 0.89 MMP13 (0.45) HSP90AA1HSP90B1MMP13CYP11B1CYP11B2
SCHEMBL4904745 0.84 EGLN1 (0.53) HSP90AA1HSP90B1MMP13CYP11B1CYP11B2
SCHEMBL20591088 0.80 CYP11B2 (0.48) HSP90AA1HSP90B1CYP11B1CYP11B2LMNA
SCHEMBL4909246 0.80 EGLN1 (0.44) MMP13LMNAHSD17B13
SCHEMBL28430515 0.78 PKM (0.57) HSP90AA1HSP90B1CYP11B1CYP11B2LMNA
SCHEMBL1684151 0.77 MMP13 (0.36) HSP90AA1HSP90B1MMP13MAPK14HSD17B13
SCHEMBL2945788 0.74 MMP13 (0.48) HSP90AA1HSP90B1MMP13CYP11B1CYP11B2
SCHEMBL2946785 0.74 CYP11B1 (0.46) HSP90AA1HSP90B1MMP13CYP11B1CYP11B2
SCHEMBL6296213 0.72 MMP13 (0.66) MMP13LMNA
SCHEMBL27244146 0.72 CYP11B2 (0.45) MMP13CYP11B1CYP11B2LMNATSHR

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 HSP90AA1 1785/4885HSP90B1 2101/4885MMP13 1047/4885

“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.