SCHEMBL17450461

SCHEMBL17450461

Cc1nc(-c2ccc(Cc3cc(C(N)=O)ncc3C)cc2)co1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.45
▸ PARP1 P09874 1/20 0.42
▸ PDE2A O00408 1/20 0.41
▸ PDE11A Q9HCR9 1/20 0.41
▸ ENPP3 O14638 4/20 0.41
▸ ENPP1 P22413 2/20 0.41
▸ GRM2 Q14416 1/20 0.39
▸ TP53 P04637 5/20 0.38
▸ POLB P06746 3/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL17440138 0.90 CHRM1 (0.44) CHRM1PDE2APDE11AENPP3ENPP1
SCHEMBL17443020 0.87 TP53 (0.44) CHRM1PARP1ENPP3ENPP1GRM2
SCHEMBL17443026 0.80 LTA4H (0.46) CHRM1PDE2APDE11APOLBMAPT
SCHEMBL17450434 0.79 MAPK14 (0.39) CHRM1PDE2APDE11AGRM2
SCHEMBL17439990 0.78 CHRM1 (0.62) CHRM1PDE2APDE11A
SCHEMBL17440139 0.78 TP53 (0.45) CHRM1ENPP3ENPP1TP53POLB
SCHEMBL17443029 0.77 PARP1 (0.43) CHRM1PARP1ENPP3ENPP1TP53
SCHEMBL17443022 0.76 PARP1 (0.45) CHRM1PARP1ENPP3ENPP1TP53
SCHEMBL17440006 0.76 CHRM1 (0.78) CHRM1PDE2APDE11A
SCHEMBL17440066 0.75 TP53 (0.47) ENPP3ENPP1TP53POLBTHRB

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 1 patent. 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

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 CHRM1 1/4885PARP1 2844/4885PDE2A 818/4885

“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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