SCHEMBL16998628

SCHEMBL16998628

Cc1cc(C)nc(SCc2cncn2CC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.39
KDM4E B2RXH2 4/20 0.38
RCE1 Q9Y256 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL858662 0.91 LMNA (0.33) LMNAHTTKDM4ERCE1L3MBTL1
SCHEMBL21338116 0.84 LMNA (0.44) LMNAHTTKDM4ERCE1L3MBTL1
SCHEMBL16743425 0.80 LMNA (0.43) LMNAHTTKDM4ERCE1L3MBTL1
SCHEMBL16998609 0.78 LMNA (0.47) LMNAHTTKDM4ERCE1L3MBTL1
SCHEMBL859710 0.76 LMNA (0.36) LMNAHTTKDM4ERCE1L3MBTL1
SCHEMBL21558438 0.75 NPC1 (0.36) LMNAALDH1A1MAPT
SCHEMBL858843 0.72 L3MBTL1 (0.35) LMNAHTTKDM4ERCE1L3MBTL1
SCHEMBL13059068 0.72 POLB (0.35)
Hydrochloric Acid SCHEMBL860676 0.71 POLB (0.34)
SCHEMBL16998601 0.70 LMNA (0.39) LMNAHTTKDM4ERCE1L3MBTL1

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 LMNA 2913/4885HTT 4119/4885KDM4E 3841/4885

“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.