SCHEMBL16178441

SCHEMBL16178441

c1cc2nc(CN3CCOCC3)[nH]c2cc1N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 3/20 0.61
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
OPRL1 P41146 1/20 0.54
DRD4 P21917 8/20 0.52
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR2A P28223 1/20 0.51
CBFB Q13951 1/20 0.46
FLT3 P36888 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44

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
SCHEMBL16178363 0.89 HTT (0.58) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1539980 0.80 MAPT (0.97) KDM4EMAPTHPGDALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL520889 0.79 MAPT (1.00) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL2026474 0.76 HPGD (1.00) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL23964352 0.76 TDP1 (0.56) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL13833222 0.75 HPGD (0.97) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1540369 0.75 MAPT (0.63) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL2270689 0.74 HRH3 (0.61) MAPTALDH1A1ADRA2C
SCHEMBL17592747 0.73 OPRL1 (0.60) MAPTHPGDALDH1A1HSD17B10OPRL1
SCHEMBL22640026 0.72 DRD4 (0.57) KDM4EMAPTHPGDALDH1A1HSD17B10

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 KDM4E 1652/4885MAPT 2357/4885HPGD 615/4885

“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.