SCHEMBL4522864

SCHEMBL4522864

CC(=O)Nc1nc(N2CCN(C)CC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 1/20 0.44
JAK2 O60674 1/20 0.44
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
TP53 P04637 1/20 0.40
ADORA2A P29274 1/20 0.40
MAP4K1 Q92918 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
LDLR P01130 1/20 0.38
KIT P10721 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
MCHR1 Q99705 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL4121651 0.92 JAK2 (0.44) JAK2MAPTALDH1A1ADORA3ADORA2A
SCHEMBL4526038 0.91 ABCG2 (0.44) MAPTKDM4EALOX15ADORA3ADORA2A
SCHEMBL4519575 0.91 JAK2 (0.43) JAK2MAPTKDM4EALDH1A1CYP3A4
SCHEMBL4534012 0.90 GAK (0.39) HDAC10JAK2KDM4EALDH1A1ADORA3
SCHEMBL4113869 0.89 MKNK2 (0.45) HDAC10ADORA3ADORA2AHRH4PIK3CD
SCHEMBL4362758 0.83 EGLN1 (0.48) MAPTCYP3A4TP53HRH4MCHR1
SCHEMBL8249823 0.81 KDM1A (0.43) HDAC10JAK2KDM4EADORA3ADORA2A
SCHEMBL4525820 0.80 PIK3CA (0.39) JAK2MAPTHRH4PIK3CDPIK3CA
SCHEMBL4121138 0.80 PI4KB (0.48) MAPTTSHRALDH1A1L3MBTL1MCHR1
SCHEMBL4519946 0.79 PDE4A (0.56) JAK2MAPTKDM4EALDH1A1HRH4

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO HDAC10 3195/4885JAK2 1569/4885MAPT 2859/4885

“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.