SCHEMBL19028142

SCHEMBL19028142

O=C(NCc1ccncc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.76
▸ NPC1 O15118 2/20 0.66
▸ THRB P10828 1/20 0.66
▸ HDAC1 Q13547 2/20 0.64
▸ HDAC6 Q9UBN7 2/20 0.64
▸ HDAC3 O15379 1/20 0.64
▸ HDAC4 P56524 1/20 0.64
▸ HDAC7 Q8WUI4 1/20 0.64
▸ HDAC2 Q92769 1/20 0.64
▸ HDAC10 Q969S8 1/20 0.64
▸ HDAC11 Q96DB2 1/20 0.64
▸ HDAC8 Q9BY41 1/20 0.64
▸ HDAC9 Q9UKV0 1/20 0.64
▸ HDAC5 Q9UQL6 1/20 0.64
▸ MMP13 P45452 2/20 0.61
▸ GAA P10253 3/20 0.60
▸ NAMPT P43490 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ RAB9A P51151 1/20 0.60

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
SCHEMBL354041 0.90 TSHR (0.76) TSHRNPC1THRBHDAC1HDAC6
Iodide SCHEMBL15903217 0.89 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL7082686 0.89 TSHR (0.73) TSHRNPC1THRBMMP13GAA
Hydrochloric Acid SCHEMBL11508166 0.88 TSHR (0.72) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL3918322 0.88 TSHR (0.76) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL28793879 0.86 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL5607689 0.86 TSHR (0.70) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL6167737 0.86 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL8372128 0.86 TSHR (0.74) TSHRNPC1THRBHDAC1HDAC6
SCHEMBL27361080 0.85 TSHR (0.72) TSHRNPC1THRBHDAC1HDAC6

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-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2025-07-17 — — US disclosed
WO-2018112843-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2017107087-A1 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — 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-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRM5, CHRM4, CHRM1 TSHR 123/4885NPC1 1927/4885THRB 584/4885

“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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