SCHEMBL17440089

SCHEMBL17440089

Cc1cnc(C(=O)O)cc1Cc1ccc(-c2cn(C)nc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ CHRM1 P11229 7/20 0.39
▸ MAPK1 P28482 6/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ PDE11A Q9HCR9 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18756137 0.91 USP30 (0.39) AXLMERTKUSP30CHRM1MAPK1
SCHEMBL18725472 0.88 AXL (0.41) AXLMERTKUSP30CHRM1MAPK1
SCHEMBL17440098 0.87 GABRP (0.42) AXLMERTKUSP30CHRM1PDE2A
SCHEMBL17440142 0.83 CHRM1 (0.44) CHRM1PDE2APDE11A
SCHEMBL18725478 0.80 CHRM1 (0.64) AXLMERTKCHRM1PDE2APDE11A
SCHEMBL18725408 0.79 CHRM1 (0.66) AXLMERTKCHRM1PDE2APDE11A
Hydrochloric Acid SCHEMBL18725413 0.79 CHRM1 (0.63) AXLMERTKCHRM1PDE2APDE11A
SCHEMBL17448003 0.79 P4HTM (0.45) CHRM1PDE2APDE11AKDM4EALDH1A1
SCHEMBL18756656 0.79 CHRM1 (0.44) AXLMERTKUSP30CHRM1PDE2A
SCHEMBL17440017 0.77 CHRM1 (0.70) CHRM1PDE2APDE11A

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
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
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
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 AXL 788/4885MERTK 767/4885USP30 3131/4885

“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.

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