SCHEMBL16998634

SCHEMBL16998634

CCc1ncsc1CSc1nc(C)cc(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL3763468 0.84 GAA (0.37) ALDH1A1KMT2ATHRBGAAMAPK1
SCHEMBL860381 0.83 ALDH1A1 (0.42) ALDH1A1KMT2ATHRBGAAATM
SCHEMBL21338086 0.80 MEN1 (0.46) ALDH1A1KMT2AGAAATMLMNA
SCHEMBL13066825 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AATMLMNAMAPK1
SCHEMBL13066852 0.71 LMNA (0.49) ALDH1A1KMT2AATMLMNAMAPK1
SCHEMBL17002050 0.70 ALDH1A1 (0.32) ALDH1A1ATM
SCHEMBL16743437 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AATMLMNAMAPK1
SCHEMBL10728064 0.69 KMT2A (0.59) ALDH1A1KMT2ATHRBGAALMNA
SCHEMBL859706 0.69 ALDH1A1 (0.43) ALDH1A1KMT2AGAAATMLMNA
SCHEMBL859070 0.68 MEN1 (0.36) ALDH1A1KMT2ATHRBGAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885KMT2A 3590/4885THRB 2052/4885

“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.