SCHEMBL31659613

SCHEMBL31659613

Cc1c(C#N)nnc(N2CCc3ncc(C(F)(F)F)cc3C2)c1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.40
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CCR2 P41597 4/20 0.33
KCNH2 Q12809 3/20 0.33
KDR P35968 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
SCHEMBL25148400 1.00 SMO (0.40) SMOP2RX3P2RX2KDM4ECCR2
SCHEMBL25147750 0.89 SMO (0.34) SMOKDR
SCHEMBL31659593 0.89 SMO (0.34) SMOKDR
SCHEMBL30332147 0.85 GRIN2D (0.32) P2RX3P2RX2
SCHEMBL25147780 0.85 GRIN2D (0.32) P2RX3P2RX2
SCHEMBL25147713 0.84 GRIN2D (0.31)
SCHEMBL30331753 0.84 GRIN2D (0.31)
SCHEMBL31659632 0.83 P2RX3 (0.32) P2RX3P2RX2
SCHEMBL25148371 0.83 P2RX3 (0.32) P2RX3P2RX2
SCHEMBL25153188 0.83 KDM4E (0.35) SMOP2RX3P2RX2KDM4ECCR2

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-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

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 SMO 1526/4885P2RX3 439/4885P2RX2 477/4885

“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.