SCHEMBL3335960

SCHEMBL3335960

COc1nc(N)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK10 P53779 1/20 0.46
MAP4K4 O95819 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALK Q9UM73 1/20 0.44
LIMK1 P53667 1/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3335192 0.87 TTK (0.47) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3337787 0.87 MAPK10 (0.43) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3334664 0.87 MAP4K4 (0.47) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3337175 0.87 MOK (0.46) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3336432 0.86 BRAF (0.48) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3334445 0.86 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3340775 0.85 MAPK10 (0.44) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL4357022 0.85 MAP4K4 (0.54) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL3335821 0.84 HPGD (0.44) KMT2AMEN1HTTSMN1; SMN2L3MBTL1
SCHEMBL3334682 0.84 HTT (0.50) KMT2AMEN1KDM4EALDH1A1HTT

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-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 KMT2A 3824/4885MEN1 2284/4885KDM4E 3125/4885

“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.