SCHEMBL16998581

SCHEMBL16998581

Cc1cc(C)nc(SCc2ccncc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 2/20 0.41
PIM1 P11309 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
KCNH3 Q9ULD8 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL844732 0.90 HTT (0.43) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16998586 0.82 TSHR (0.50) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13066756 0.79 HTT (0.43) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16998619 0.78 HTT (0.46) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16998580 0.78 MEN1 (0.57) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13066879 0.75 ALDH1A1 (0.40) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13067182 0.74 MEN1 (0.50) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL844638 0.73 ALDH1A1 (0.41) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL845093 0.73 HPGD (0.43) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16998622 0.73 KDM1A (0.41) HTTMEN1KMT2AALDH1A1KDM4E

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-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

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 HTT 4119/4885MEN1 4378/4885KMT2A 3590/4885

“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.