Sugi Predict

Sugi Predict / Compounds / SCHEMBL16221024

SCHEMBL16221024

SCHEMBL16221024

COc1cc(-c2ccc(Cn3cnc4ccccc4c3=O)c(F)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTT P42858 1/20 0.47
▸ MMP13 P45452 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ GRK2 P25098 3/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL16221177 0.89 CHRM1 (0.49) TP53SMN1; SMN2HTTMMP13ROCK2
SCHEMBL16221013 0.88 CHRM1 (0.49) TP53SMN1; SMN2MMP13ROCK2GRK2
SCHEMBL16221027 0.88 ROCK2 (0.46) TP53SMN1; SMN2MMP13ROCK2GRK2
SCHEMBL16221129 0.87 ROCK2 (0.41) TP53SMN1; SMN2MMP13ROCK2GRK2
SCHEMBL16220985 0.85 GRK2 (0.59) TP53SMN1; SMN2HTTMMP13ROCK2
SCHEMBL16221330 0.85 GRK2 (0.61) TP53SMN1; SMN2HTTGRK2STAT3
SCHEMBL16221340 0.85 SMN1; SMN2 (0.51) TP53SMN1; SMN2HTTGRK2STAT3
SCHEMBL17677795 0.84 SMN1; SMN2 (0.56) TP53SMN1; SMN2HTTGRK2STAT3
SCHEMBL16221270 0.82 ROCK2 (0.60) TP53SMN1; SMN2HTTMMP13ROCK2
SCHEMBL17677837 0.81 HTT (0.59) TP53SMN1; SMN2HTTGRK2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540371-B2 Substituted quinazolin-4(3H)-ones, pyrido[3,4-d]pyrimidin-4(3H)-ones, pyrido[3,2-d]pyrimidin-4(3H)-ones and pyrido[2,3-d]pyrimidin-4(3H)-ones as positive allosteric modulators of muscarinic acetycholine receptor M1 VANDERBILT UNIVERSITY (US) 2017-01-10 — — US disclosed
US-9540371-B2 Substituted quinazolin-4(3H)-ones, pyrido[3,4-d]pyrimidin-4(3H)-ones, pyrido[3,2-d]pyrimidin-4(3H)-ones and pyrido[2,3-d]pyrimidin-4(3H)-ones as positive allosteric modulators of muscarinic acetycholine receptor M1 VANDERBILT UNIVERSITY (US) 2017-01-10 — — US disclosed
US-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2016-04-14 — — US disclosed
US-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2016-04-14 — — US disclosed
WO-2014179237-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2014-11-06 — — WO 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-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM4 TP53 4206/4885SMN1; SMN2 2710/4885HTT 1393/4885

“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.