SCHEMBL17413784

SCHEMBL17413784

Cc1cccc(-c2cc(NCCc3c(C)n[nH]c3C)nc(N)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.49
TLR8 Q9NR97 1/20 0.46
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
AURKB Q96GD4 1/20 0.43
XDH P47989 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL15757792 0.82 NUDT1 (0.56) HRH4TLR8HSD17B10LMNAHTT
SCHEMBL1318840 0.73 PDPK1 (0.66) HRH4AURKAPDPK1TGFBR1AURKB
SCHEMBL15757289 0.72 NUDT1 (0.58) HRH4TLR8AURKAPDPK1TGFBR1
SCHEMBL28043950 0.72 MAPT (0.43) HRH4TLR8LMNAHTTAURKA
SCHEMBL4765998 0.70 CYP3A4 (0.46) HSD17B10KDM4ERAB9A
SCHEMBL28043771 0.70 HRH4 (0.62) HRH4TLR8
SCHEMBL28151149 0.69 HRH4 (0.64) HRH4TLR8AURKAPDPK1TGFBR1
SCHEMBL28043933 0.69 HRH4 (0.50) HRH4TLR8
SCHEMBL28151182 0.69 HRH4 (0.52) HRH4TLR8
SCHEMBL28267209 0.68 TLR8 (0.46) HRH4TLR8AURKAPDPK1TGFBR1

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-9604937-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-03-28 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 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-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer DPYD, MTHFD1, TYMS HRH4 2495/4885TLR8 4550/4885HSD17B10 890/4885

“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.