SCHEMBL5777836

SCHEMBL5777836

[CH2]Cc1ccc(-n2c(CC)nc3cc(C#N)c(Cl)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.40
MAT2A P31153 1/20 0.38
AR P10275 6/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PDPK1 O15530 1/20 0.33
AKT1 P31749 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
PDE10A Q9Y233 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL1624388 0.88 PGK1 (0.39) PGK1MAT2AARESR1ESR2
SCHEMBL3950716 0.87 DCTPP1 (0.40) ESR1ESR2MEN1KMT2ACYP1A2
SCHEMBL1625754 0.87 PGK1 (0.38) PGK1MAT2AARESR1ESR2
SCHEMBL1625715 0.87 PGK1 (0.38) PGK1MAT2AARESR1ESR2
SCHEMBL27599858 0.83 CYP1A2 (0.40) PGK1MAT2AMEN1KMT2ACYP1A2
SCHEMBL27582722 0.82 PGK1 (0.35) PGK1MAT2AARESR1ESR2
SCHEMBL3950874 0.81 ESR1 (0.37) ESR1ESR2MEN1KMT2ACYP1A2
SCHEMBL1625820 0.80 AR (0.37) PGK1MAT2AARESR1ESR2
SCHEMBL3949979 0.80 CNR2 (0.36) ESR1ESR2MEN1KMT2ACYP1A2
SCHEMBL3956735 0.79 ESR1 (0.36) ESR1ESR2MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PGK1 2914/4885MAT2A 3724/4885AR 1948/4885

“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.