SCHEMBL3333930

SCHEMBL3333930

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
KIT P10721 4/20 0.49
KDR P35968 3/20 0.49
MAPK9 P45984 3/20 0.49
LCK P06239 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
SMYD3 Q9H7B4 4/20 0.45
FYN P06241 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ATR Q13535 2/20 0.41
LYN P07948 1/20 0.40

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
SCHEMBL3335422 0.96 SMN1; SMN2 (0.52) MAPK14KITKDRMAPK9LCK
SCHEMBL3332812 0.95 SMN1; SMN2 (0.54) MAPK14KITKDRMAPK9LCK
SCHEMBL3340835 0.86 HPGD (0.42) MAPK14KITKDRMAPK9LCK
SCHEMBL3336495 0.86 MKNK1 (0.42) MEN1KMT2AHPGDNPSR1ATR
SCHEMBL3336523 0.86 IP6K1 (0.47) ROCK2ROCK1NPSR1
SCHEMBL3334673 0.86 MAPK14 (0.47) MAPK14SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3336047 0.85 RXRA (0.38)
SCHEMBL3332984 0.84 MEN1 (0.46) MAPK14SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3335363 0.83 JAK2 (0.51) KDRMAPK9
SCHEMBL823813 0.83 MKNK1 (0.45) MAPK14KITKDRMAPK9LCK

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 2920/4885KIT 2205/4885KDR 613/4885

“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.