SCHEMBL3340784

SCHEMBL3340784

CCOc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CCCC4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.45
BMPR1B O00238 2/20 0.45
BMPR1A P36894 2/20 0.45
TGFBR1 P36897 2/20 0.45
ACVRL1 P37023 2/20 0.45
ACVR1 Q04771 2/20 0.45
LMNA P02545 1/20 0.44
MAPK14 Q16539 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAP4K4 O95819 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGDS O60760 1/20 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
SCHEMBL3337545 0.99 RAB9A (0.47) RAB9ASMN1; SMN2HPGDMAPTBMPR1B
SCHEMBL3334673 0.96 MAPK14 (0.47) RAB9ASMN1; SMN2BMPR1BBMPR1ATGFBR1
SCHEMBL3337490 0.90 LMNA (0.44) RAB9ASMN1; SMN2MAPTBMPR1BBMPR1A
SCHEMBL3336178 0.89 LMNA (0.44) RAB9ASMN1; SMN2BMPR1BBMPR1ATGFBR1
SCHEMBL3334272 0.89 SMYD3 (0.43) RAB9ASMN1; SMN2MAPTBMPR1BBMPR1A
SCHEMBL3338257 0.89 LMNA (0.45) RAB9ASMN1; SMN2MAPTBMPR1BBMPR1A
SCHEMBL3335422 0.86 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2HPGDBMPR1BBMPR1A
SCHEMBL3332984 0.86 MEN1 (0.46) RAB9ASMN1; SMN2BMPR1BBMPR1ATGFBR1
SCHEMBL3332812 0.85 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2HPGDBMPR1BBMPR1A
SCHEMBL3334542 0.85 MEN1 (0.45) RAB9ASMN1; SMN2BMPR1BBMPR1ATGFBR1

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 6 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
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
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 RAB9A 1092/4885SMN1; SMN2 3749/4885HPGD 3242/4885

“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.