SCHEMBL3334673

SCHEMBL3334673

CCOc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMYD3 Q9H7B4 4/20 0.45
FYN P06241 1/20 0.44
USP7 Q93009 1/20 0.43
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ATR Q13535 1/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL3340784 0.96 RAB9A (0.46) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL3337545 0.95 RAB9A (0.47) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL3332984 0.90 MEN1 (0.46) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL3334542 0.89 MEN1 (0.45) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL3335167 0.88 SMYD3 (0.47) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL3341799 0.86 RAB9A (0.48) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL5140192 0.86 BMPR1B (0.39) MAPK14MEN1RAB9AKMT2AFYN
SCHEMBL3338030 0.86 PLK1 (0.46) SMN1; SMN2USP7ATRTP53
SCHEMBL3337490 0.86 LMNA (0.44) MAPK14MEN1RAB9AKMT2ANPC1
SCHEMBL3333930 0.86 MAPK14 (0.49) MAPK14MEN1RAB9AKMT2ANPC1

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
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 claimed
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 MAPK14 2920/4885MEN1 2284/4885RAB9A 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.