SCHEMBL17448016

SCHEMBL17448016

Cc1nc(-c2ccc(CO)cc2)co1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 5/20 0.62
▸ ENPP1 P22413 3/20 0.62
▸ S1PR1 P21453 3/20 0.48
▸ S1PR3 Q99500 2/20 0.48
▸ TP53 P04637 8/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PARP1 P09874 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL17440135 0.82 ENPP3 (0.62) ENPP3ENPP1S1PR1S1PR3TP53
SCHEMBL22918669 0.82 ENPP3 (0.62) ENPP3ENPP1S1PR1S1PR3TP53
SCHEMBL24415640 0.79 ENPP3 (0.69) ENPP3ENPP1TP53MAPTTHRB
SCHEMBL12112408 0.79 ENPP3 (0.96) ENPP3ENPP1TP53THRBPOLB
SCHEMBL28025185 0.78 ENPP3 (0.72) ENPP3ENPP1S1PR1S1PR3TP53
Ammonia Solution, Strong SCHEMBL28862464 0.77 ENPP3 (0.92) ENPP3ENPP1TP53MAPTTHRB
SCHEMBL16202266 0.77 S1PR1 (0.74) ENPP3ENPP1S1PR1S1PR3
SCHEMBL8117354 0.76 ENPP3 (0.69) ENPP3ENPP1TP53THRBPOLB
SCHEMBL1169116 0.76 ENPP3 (0.69) ENPP3ENPP1TP53THRBPOLB
SCHEMBL2056109 0.76 ENPP3 (0.69) ENPP3ENPP1TP53MAPTTHRB

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
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 ENPP3 1766/4885ENPP1 1139/4885S1PR1 859/4885

“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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