SCHEMBL7012302

SCHEMBL7012302

CN1CCNC(c2cccs2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP1 P29466 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL7014692 0.80 KDM4E (0.37) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL28750703 0.78 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL2910280 0.76 PDE10A (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL2908444 0.76 PDE10A (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL90572 0.76 PDE10A (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL28989250 0.76 BRD4 (0.40) MAPTSMN1; SMN2TSHRALDH1A1GAA
Hydrochloric Acid SCHEMBL10626673 0.75 GSK3B (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27510131 0.75 GSK3B (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL10935921 0.73 BRD4 (0.56) MAPTSMN1; SMN2KDM4ETSHRHTT
SCHEMBL16640404 0.72 MAPK1 (0.44) MAPTKDM4EALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 US disclosed
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed
US-4515792-A Tetracyclic heterocycles and antidepressant compositions thereof CIBA-GEIGY CORPORATION (US) 1985-05-07 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-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 SLC6A2 1760/4885SLC6A4 1484/4885SLC6A3 1450/4885

“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.