SCHEMBL4095539

SCHEMBL4095539

Nc1nc(-c2ccccc2)c2nc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GBA1 P04062 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 3/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL4102155 0.87 KMT2A (0.44) KMT2AMEN1GBA1L3MBTL1MAPT
SCHEMBL4107991 0.83 L3MBTL1 (0.44) KMT2AMEN1GBA1L3MBTL1MAPT
SCHEMBL4096378 0.81 ATR (0.53)
SCHEMBL4110029 0.80 ATR (0.53) HSD17B10ALDH1A1HPGD
SCHEMBL4355357 0.77 GBA1 (0.45) KMT2AMEN1GBA1L3MBTL1MAPT
SCHEMBL4367570 0.77 L3MBTL1 (0.46) KMT2AMEN1GBA1L3MBTL1MAPT
SCHEMBL4358480 0.76 L3MBTL1 (0.45) KMT2AMEN1GBA1L3MBTL1MAPT
SCHEMBL4113727 0.74 MAP4K4 (0.46) KDM4EALDH1A1
SCHEMBL3766607 0.73 L3MBTL1 (0.44) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL3763390 0.73 NOS1 (0.55) KMT2AMEN1L3MBTL1MAPTLMNA

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 KMT2A 4045/4885MEN1 4569/4885GBA1 3476/4885

“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.