SCHEMBL16998624

SCHEMBL16998624

Cc1cc(C)nc(SCc2cncn2C2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTT P42858 3/20 0.37
RCE1 Q9Y256 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL16998601 0.99 LMNA (0.39) ALDH1A1NPSR1MAPK1HPGDLMNA
SCHEMBL844043 0.92 HSP90AA1 (0.38) ALDH1A1NPSR1MAPK1HPGDLMNA
Hydrochloric Acid SCHEMBL859010 0.91 HSP90AA1 (0.38) ALDH1A1NPSR1MAPK1HPGDLMNA
SCHEMBL859233 0.90 HSP90AA1 (0.37) ALDH1A1NPSR1MAPK1HPGDLMNA
SCHEMBL16998609 0.75 LMNA (0.47) ALDH1A1MAPK1HPGDLMNAKDM4E
SCHEMBL16743436 0.74 ALDH1A1 (0.40) ALDH1A1NPSR1MAPK1HPGDLMNA
SCHEMBL21338116 0.72 LMNA (0.44) ALDH1A1MAPK1HPGDLMNAKDM4E
SCHEMBL21338228 0.72 ALDH1A1 (0.38) ALDH1A1NPSR1MAPK1HPGDLMNA
SCHEMBL16743425 0.71 LMNA (0.43) ALDH1A1MAPK1HPGDLMNAKDM4E
SCHEMBL11397041 0.71 IDO1 (0.44) GAAHSP90AA1HSP90AB1IDO1

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 ALDH1A1 577/4885NPSR1 1771/4885MAPK1 2423/4885

“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.