SCHEMBL3336650

SCHEMBL3336650

Nc1nc(OC2CCOC2)c2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 1/20 0.42
RIPK2 O43353 1/20 0.41
ATR Q13535 2/20 0.41
SMYD3 Q9H7B4 4/20 0.41
GRM4 Q14833 1/20 0.40
LRRK2 Q5S007 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TYK2 P29597 1/20 0.38
ROCK2 O75116 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
FYN P06241 1/20 0.37

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
SCHEMBL3336644 1.00 MEN1 (0.42) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5140192 0.91 BMPR1B (0.39) MEN1RAB9AKMT2AMAPK14RIPK2
SCHEMBL3335817 0.90 HRH3 (0.49) ROCK2DYRK1A
SCHEMBL3335812 0.90 HRH3 (0.49) ROCK2DYRK1A
SCHEMBL3335691 0.85 MELK (0.45) HDAC4HDAC6ROCK2
SCHEMBL3335680 0.85 MELK (0.45) HDAC4HDAC6ROCK2
SCHEMBL3335228 0.85 LIPG (0.38) GRM4MAPK8MAPK9
SCHEMBL3335235 0.85 LIPG (0.38) GRM4MAPK8MAPK9
SCHEMBL3335087 0.85 PIK3CA (0.54) MEN1KMT2AATRHPGDS
SCHEMBL3336059 0.85 CD274 (0.54) HPGDS

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 4 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

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 MEN1 2284/4885NPC1 1545/4885RAB9A 1092/4885

“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.