SCHEMBL16998619

SCHEMBL16998619

Cc1cc(C)nc(SCc2cnccc2C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CD38 P28907 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM1A O60341 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL844203 0.91 CD38 (0.43) HTTCD38ALDH1A1KDM4EKDM1A
Hydrochloric Acid SCHEMBL844129 0.90 CD38 (0.42) HTTCD38ALDH1A1KDM4EKDM1A
SCHEMBL16998622 0.81 KDM1A (0.41) HTTCD38ALDH1A1KDM4EKDM1A
SCHEMBL16998581 0.78 HTT (0.53) HTTALDH1A1KDM4ELMNAMEN1
SCHEMBL16998586 0.75 TSHR (0.50) HTTALDH1A1KDM4ELMNAMEN1
SCHEMBL13066756 0.73 HTT (0.43) HTTALDH1A1KDM4ELMNAMEN1
SCHEMBL13066866 0.72 ALDH1A1 (0.40) HTTALDH1A1KDM4ELMNAMEN1
SCHEMBL844638 0.70 ALDH1A1 (0.41) HTTALDH1A1KDM4ELMNAMEN1
SCHEMBL844732 0.70 HTT (0.43) HTTALDH1A1KDM4ELMNAMEN1
SCHEMBL8403256 0.70 ALDH1A1 (0.48) CD38ALDH1A1POLBMAPTCYP3A4

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 4119/4885CD38 3186/4885ALDH1A1 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.