SCHEMBL16998629

SCHEMBL16998629

Cc1cc(C)nc(SCc2cnc(Cl)n2C(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
RCE1 Q9Y256 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL860644 0.91 KDM4E (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL16743429 0.82 L3MBTL1 (0.46) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL16998603 0.80 LMNA (0.42) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL16998605 0.75 LMNA (0.43) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL844560 0.74 L3MBTL1 (0.39) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL16998588 0.73 L3MBTL1 (0.48) LMNAKDM4EMAPTHTTALDH1A1
SCHEMBL16743425 0.72 LMNA (0.43) LMNAKDM4EMAPTHTTALDH1A1
SCHEMBL844521 0.72 KDM4E (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL16998604 0.70 LMNA (0.46) LMNAKDM4EMAPTHTTALDH1A1
SCHEMBL16743433 0.68 L3MBTL1 (0.52) LMNAKDM4EMAPTMEN1KMT2A

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
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
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 LMNA 2913/4885KDM4E 3841/4885MAPT 385/4885

“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.