SCHEMBL4112706

SCHEMBL4112706

CN1CCN(c2cc(-c3ccc4nc(N)nc(-c5ccccc5)c4n3)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.51
HTR3A P46098 1/20 0.51
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
UBE2N P61088 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MTOR P42345 1/20 0.44
SMG1 Q96Q15 1/20 0.44
MET P08581 1/20 0.43
CSNK1D P48730 1/20 0.43
MAPK14 Q16539 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL4101654 0.88 ATR (0.53) HRH4KDM4ESMG1CSNK1DMAPK14
SCHEMBL4096378 0.84 ATR (0.53) HRH4HTR3AMTORMETADORA2A
SCHEMBL4102195 0.84 HRH4 (0.45) HRH4HTR3AKDM4ERAD52UBE2N
SCHEMBL4102137 0.83 CKS1B (0.54) ADORA2A
SCHEMBL4107779 0.81 DHFR (0.44) HRH4HTR3AKDM4ERAD52UBE2N
SCHEMBL4104424 0.77 ADORA2A (0.57) KDM4EADORA2AADORA1
SCHEMBL4102329 0.77 ALDH1A1 (0.59) KDM4EL3MBTL1MTORADORA2AADORA1
SCHEMBL902067 0.74 MTOR (0.54) HRH4HTR3AKDM4ERAD52UBE2N
SCHEMBL4110099 0.73 ADORA2A (0.52) KDM4EADORA2AADORA1
SCHEMBL4106909 0.73 ALDH1A1 (0.57) ADORA2AADORA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD HRH4 1129/4885HTR3A 204/4885KDM4E 2414/4885

“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.