SCHEMBL17440129

SCHEMBL17440129

CCOC(=O)c1cc(C(F)c2ccc(-c3cscn3)cc2)c(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GABRA1 P14867 7/20 0.39
▸ GABRG2 P18507 7/20 0.39
▸ GABRB3 P28472 7/20 0.39
▸ GABRA5 P31644 7/20 0.39
▸ GABRA3 P34903 7/20 0.39
▸ GABRA2 P47869 7/20 0.39
▸ GABRA4 P48169 7/20 0.39
▸ GABRA6 Q16445 7/20 0.39
▸ GABRP O00591 6/20 0.39
▸ GABRD O14764 6/20 0.39
▸ GABRB1 P18505 6/20 0.39
▸ GABRB2 P47870 6/20 0.39
▸ GABRE P78334 6/20 0.39
▸ GABRG1 Q8N1C3 6/20 0.39
▸ GABRG3 Q99928 6/20 0.39
▸ GABRQ Q9UN88 6/20 0.39

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
SCHEMBL17440047 0.78 CHRM1 (0.56) ALDH1A1SMN1; SMN2GAALMNAGABRA1
SCHEMBL17440127 0.73 JAK2 (0.43) ALDH1A1SMN1; SMN2LMNAGABRA1GABRG2
SCHEMBL17440090 0.73 CHRM1 (0.70) GABRA1CHRM1PDE2APDE11A
SCHEMBL4536161 0.67 TP53 (0.49) ALDH1A1SMN1; SMN2LMNARAB9APOLB
SCHEMBL26899199 0.67 GABRA1 (0.55) ALDH1A1SMN1; SMN2LMNAGABRA1GABRG2
SCHEMBL23012965 0.65 RAB9A (0.41) ALDH1A1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL29479837 0.65 RAB9A (0.41) ALDH1A1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL243257 0.65 MAPT (0.50) ALDH1A1SMN1; SMN2GAAGABRA1GABRG2
SCHEMBL21664174 0.65 CYP1A2 (0.60) ALDH1A1SMN1; SMN2GAALMNASYK
SCHEMBL31434593 0.65 SYK (0.36) ALDH1A1SMN1; SMN2GAALMNASYK

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
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — 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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 ALDH1A1 2224/4885SMN1; SMN2 1519/4885GAA 3566/4885

“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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