SCHEMBL3340899

SCHEMBL3340899

Nc1nc(OC[C@@H]2CCCO2)c2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RIPK2 O43353 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPK14 Q16539 2/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 2/20 0.42
TTK P33981 2/20 0.42
PTK2 Q05397 1/20 0.42
GRM4 Q14833 2/20 0.42
AXL P30530 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3340903 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2RIPK2KDM4E
SCHEMBL5127724 0.91 RAB9A (0.45) RAB9ANPC1SMN1; SMN2RIPK2KDM4E
SCHEMBL3334542 0.86 MEN1 (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3336178 0.84 LMNA (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3338257 0.84 LMNA (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3332984 0.83 MEN1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3334673 0.83 MAPK14 (0.47) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL3335167 0.82 SMYD3 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3337490 0.82 LMNA (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3340784 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1

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 RAB9A 1092/4885NPC1 1545/4885SMN1; SMN2 3749/4885

“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.