SCHEMBL16998621

SCHEMBL16998621

Cc1cc(C)nc(SCc2c(Cl)ccnc2C)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL13066890 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL16998632 0.84 MEN1 (0.48) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL16998612 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL16998631 0.83 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL21338202 0.80 MEN1 (0.64) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL843641 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL21338246 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL844421 0.76 KMT2A (0.47) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL844342 0.75 MEN1 (0.40) MEN1KMT2AALDH1A1NPSR1HTT
Hydrochloric Acid SCHEMBL844158 0.75 KMT2A (0.46) MEN1KMT2AALDH1A1NPSR1HTT

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-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 MEN1 4378/4885KMT2A 3590/4885ALDH1A1 577/4885

“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.