SCHEMBL31418892

SCHEMBL31418892

CC1Cc2ncc(C(F)(F)F)cc2CN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.40
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL25153140 1.00 PNMT (0.40) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL27680887 0.78 PNMT (0.39) PNMT
SCHEMBL21470795 0.76 PNMT (0.39) PNMTADRA2AADRA2BADRA2C
SCHEMBL21470798 0.76 PNMT (0.39) PNMTADRA2AADRA2BADRA2C
SCHEMBL621045 0.74 ALDH1A1 (0.34) PNMTALDH1A1GAA
SCHEMBL4821366 0.74 KDM4E (0.36) PNMTALDH1A1GAA
Hydrochloric Acid SCHEMBL622126 0.72 ALDH1A1 (0.33) PNMTALDH1A1GAA
SCHEMBL3876112 0.72 CA1 (0.35) ALDH1A1GAA
SCHEMBL30590165 0.70 ASIC3 (0.42) PNMTALDH1A1
SCHEMBL714493 0.70 ASIC3 (0.42) PNMTALDH1A1

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-20250002507-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 2025-01-02 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-20250002507-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 CHRM4, CHRM1, CHRM2 PNMT 523/4885ADRA2A 117/4885ADRA2B 139/4885

“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.