SCHEMBL3340835

SCHEMBL3340835

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
MELK Q14680 8/20 0.42
MAPK14 Q16539 2/20 0.41
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
MAPK9 P45984 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
KLK7 P49862 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TTK P33981 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL3331778 0.87 MKNK1 (0.39) MAPK9
SCHEMBL3341799 0.87 RAB9A (0.48) HPGDMELKMAPK14RAB9ANPC1
SCHEMBL3333930 0.86 MAPK14 (0.49) HPGDMAPK14LCKKITKDR
SCHEMBL823772 0.86 MELK (0.43) HPGDMELKMAPK14LCKKIT
SCHEMBL3335749 0.84 HPGD (0.42) HPGDMELKRAB9ANPC1KLK7
SCHEMBL3333897 0.83 HPGD (0.43) HPGDMELKRAB9ANPC1KLK7
SCHEMBL3335422 0.83 SMN1; SMN2 (0.52) HPGDMAPK14LCKKITKDR
SCHEMBL3332812 0.82 SMN1; SMN2 (0.54) HPGDMAPK14LCKKITKDR
SCHEMBL3336526 0.76 CNR1 (0.46) MELK
SCHEMBL823649 0.75 MEN1 (0.44) HPGDMELKRAB9AMEN1KMT2A

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 HPGD 3242/4885MELK 2327/4885MAPK14 2920/4885

“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.