SCHEMBL20001503

SCHEMBL20001503

Cc1cn(CCNC(=O)c2cn(C)cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.41
KCNA3 P22001 1/20 0.41
GRM2 Q14416 1/20 0.39
ALPL P05186 2/20 0.39
PLAA Q9Y263 1/20 0.39
GSK3B P49841 1/20 0.39
ALPG P10696 1/20 0.39
SMYD3 Q9H7B4 1/20 0.37
QPCTL Q9NXS2 1/20 0.36

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
SCHEMBL3266560 0.76 GRM2 (0.42) KCNA3GRM2GSK3BSMYD3
SCHEMBL13925852 0.75 GRM2 (0.48) KCNA3GRM2SMYD3
SCHEMBL24253400 0.74 KCNA3 (0.41) KCNA3GRM2GSK3BSMYD3
SCHEMBL27284572 0.73 KCNA3 (0.46) KCNA3GRM2
SCHEMBL24501920 0.73 QPCT (0.45) QPCTALPLPLAAGSK3BALPG
SCHEMBL10924270 0.73 SMN1; SMN2 (0.58)
SCHEMBL14416042 0.73 KDM4E (0.57) QPCT
SCHEMBL1178203 0.72 ALDH1A1 (0.64)
SCHEMBL12911102 0.72 P2RX7 (0.42) KCNA3GRM2GSK3BSMYD3
SCHEMBL22231667 0.72 KCNA3 (0.39) KCNA3GRM2GSK3BSMYD3

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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS QPCT 998/4885KCNA3 2909/4885GRM2 1048/4885

“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.