SCHEMBL3335422

SCHEMBL3335422

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CCCC4)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 1/20 0.47
MAPK14 Q16539 3/20 0.46
KIT P10721 2/20 0.46
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46
MAPK9 P45984 1/20 0.46
LMNA P02545 2/20 0.44
ROCK2 O75116 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
TGFBR1 P36897 2/20 0.41
ACVRL1 P37023 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
SCHEMBL3332812 0.99 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHPGDNPSR1
SCHEMBL3333930 0.96 MAPK14 (0.49) SMN1; SMN2NPC1RAB9AHPGDNPSR1
SCHEMBL3336523 0.87 IP6K1 (0.47) NPSR1LMNAROCK2ALDH1A1HDAC4
SCHEMBL3340784 0.86 RAB9A (0.46) SMN1; SMN2NPC1RAB9AHPGDMAPK14
SCHEMBL3337545 0.85 RAB9A (0.47) SMN1; SMN2NPC1RAB9AHPGDNPSR1
SCHEMBL3336495 0.84 MKNK1 (0.42) HPGDNPSR1LMNAMEN1KMT2A
SCHEMBL3337490 0.84 LMNA (0.44) SMN1; SMN2NPC1RAB9AMAPK14LMNA
SCHEMBL823721 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHPGDNPSR1
SCHEMBL3336178 0.83 LMNA (0.44) SMN1; SMN2NPC1RAB9AMAPK14LMNA
SCHEMBL3336047 0.83 RXRA (0.38)

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 3 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

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 SMN1; SMN2 3749/4885NPC1 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.