SCHEMBL4102014

SCHEMBL4102014

CCCc1nc(N)nc2ccc(-c3ccccc3OCC#N)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
MAOA P21397 1/20 0.38
DHFR P00374 2/20 0.36
KCNN4 O15554 1/20 0.34
POLB P06746 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
PRKCD Q05655 1/20 0.33
PAK1 Q13153 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
MAPT P10636 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PDE5A O76074 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4840144 0.90 MAOB (0.40) MAOBALOX5APFEN1MAOADHFR
SCHEMBL4108022 0.85 MAOB (0.44) MAOBALOX5APFEN1MAOADHFR
SCHEMBL4107331 0.84 TLR4 (0.47) DHFRCAMK2BCAMK2GCAMK2D
SCHEMBL4097702 0.81 TLR8 (0.42) DHFRPTPN1ADORA2AADORA1
SCHEMBL4104502 0.81 MAOB (0.41) MAOBMAOADHFRPOLBMAPT
SCHEMBL4113347 0.81 MAOB (0.45) MAOBALOX5APFEN1MAOAADORA2A
SCHEMBL4114833 0.79 MAOB (0.46) MAOBMAOADHFR
SCHEMBL4102859 0.76 CHRNA7 (0.40) DHFRPTPN1
SCHEMBL4097695 0.76 TLR8 (0.41) DHFRALDH1A1HPGDADORA2A
SCHEMBL4096296 0.75 DHFR (0.36) DHFR

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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 MAOB 409/4885ALOX5AP 379/4885FEN1 1431/4885

“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.