SCHEMBL17440015

SCHEMBL17440015

CCOC(=O)c1cc(Cc2ccc(-c3noc(C)n3)cc2)c(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ KIFC1 Q9BW19 5/20 0.42
▸ GABRP O00591 3/20 0.40
▸ GABRD O14764 3/20 0.40
▸ GABRA1 P14867 3/20 0.40
▸ GABRB1 P18505 3/20 0.40
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 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
SCHEMBL17440020 0.78 CHRM1 (0.57) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL17440134 0.78 MAOB (0.47) HTTLMNARAB9AGABRPGABRD
SCHEMBL17440016 0.78 GABRA1 (0.42) LMNARAB9AGABRPGABRDGABRA1
SCHEMBL17440112 0.77 ADRB2 (0.42) LMNARAB9AGABRPGABRDGABRA1
SCHEMBL17440097 0.77 GABRA1 (0.41) LMNARAB9AGABRPGABRDGABRA1
SCHEMBL17440047 0.76 CHRM1 (0.56) LMNARAB9AGABRPGABRDGABRA1
SCHEMBL17443025 0.76 JMJD6 (0.47) RAB9AGABRPGABRDGABRA1GABRB1
SCHEMBL17440098 0.75 GABRP (0.42) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL17448013 0.74 CHRM1 (0.70) GABRA1
SCHEMBL17440030 0.71 CHRM1 (0.61) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — WO disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — 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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 PLK1 1811/4885HTT 1751/4885LMNA 4422/4885

“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.

Send feedback