SCHEMBL16998622

SCHEMBL16998622

Cc1cc(O)nc(SCc2ccncc2C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
CD38 P28907 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33

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 0.90 CD38 (0.43) KDM1AHTTALDH1A1L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL844129 0.89 CD38 (0.42) KDM1AHTTALDH1A1L3MBTL1HSD17B10
SCHEMBL844732 0.84 HTT (0.43) HTTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL13066879 0.83 ALDH1A1 (0.40) HTTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL845093 0.81 HPGD (0.43) HTTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL844638 0.81 ALDH1A1 (0.41) HTTALDH1A1L3MBTL1POLBKDM4E
SCHEMBL13066756 0.81 HTT (0.43) HTTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL16998619 0.81 HTT (0.46) KDM1AHTTALDH1A1L3MBTL1HSD17B10
SCHEMBL13066866 0.81 ALDH1A1 (0.40) HTTALDH1A1L3MBTL1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL844514 0.80 ALDH1A1 (0.41) HTTALDH1A1L3MBTL1POLBKDM4E

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 4 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-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
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 KDM1A 4198/4885HTT 4119/4885ALDH1A1 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.