SCHEMBL21765141

SCHEMBL21765141

CNc1ccccc1-c1nn[nH]n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GAA P10253 1/20 0.61
PBRM1 Q86U86 1/20 0.56
IDO1 P14902 1/20 0.56
LDHA P00338 1/20 0.56
KCNK18 Q7Z418 2/20 0.55
CLCN2 P51788 1/20 0.55
TAS2R14 Q9NYV8 9/20 0.54
GPR35 Q9HC97 1/20 0.53
KCNK2 O95069 1/20 0.52
KCNK10 P57789 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CHRM2 P08172 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL20552499 0.77 TAS2R14 (0.59) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL21749268 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL8429622 0.76 GAA (1.00) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL20553148 0.75 GPR35 (0.66) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL20552361 0.75 KCNK18 (0.57) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL20552917 0.74 TAS2R14 (0.64) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL25788464 0.73 TAS2R14 (0.67) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL8294492 0.72 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL14844440 0.72 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL3397464 0.72 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 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 (2 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 ALDH1A1 3497/4885MEN1 3450/4885KMT2A 1927/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ALDH1A1 3497/4885MEN1 3450/4885KMT2A 1927/4885

“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.