SCHEMBL4102253

SCHEMBL4102253

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(N4CCNCC4)nc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
NTRK1 P04629 4/20 0.43
TAAR1 Q96RJ0 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
PDE10A Q9Y233 1/20 0.39
AURKA O14965 1/20 0.39
RET P07949 1/20 0.39
SRC P12931 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
MERTK Q12866 1/20 0.39
ITGA2B P08514 1/20 0.39
ALOX5AP P20292 1/20 0.38
MPO P05164 1/20 0.38
HDAC2 Q92769 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
SCHEMBL4107251 0.89 ATR (0.46) ATRHDAC1PIK3CA
SCHEMBL4112835 0.86 PIM1 (0.45) TAAR1HDAC1FLT3MPOHDAC2
SCHEMBL4114825 0.86 ATR (0.48) ATRAKT1PIK3CAMPO
SCHEMBL4115754 0.84 DHFR (0.44) ATRHDAC1HDAC10HDAC6KCNH2
SCHEMBL4110029 0.84 ATR (0.53) ATRNTRK1HDAC1HDAC10HDAC6
SCHEMBL4102155 0.81 KMT2A (0.44) USP2SMN1; SMN2HSD17B10SMO
SCHEMBL4097013 0.80 MPO (0.43) PIK3CAMPOCYP1A2CYP3A4CYP2C9
SCHEMBL4112832 0.80 HTR6 (0.45) TAAR1KCNH2MPO
SCHEMBL4097558 0.80 MKNK2 (0.54) ATR
SCHEMBL4109860 0.79 MPO (0.42) PIK3CAMPO

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 ATR 3290/4885NTRK1 3595/4885TAAR1 1534/4885

“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.