SCHEMBL3333969

SCHEMBL3333969

CCOc1nc(N)nc2ccc(-c3ccc(C(=O)N4CCSCC4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.43
MGLL Q99685 1/20 0.43
JAK1 P23458 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
LRRK2 Q5S007 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
PTGS2 P35354 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL3337282 0.94 MGLL (0.41) HPGDMGLLJAK1ALDH1A1HSP90AA1
SCHEMBL3335650 0.91 HPGD (0.50) HPGDMGLLALDH1A1KDM4EL3MBTL1
SCHEMBL3336761 0.90 HPGD (0.51) HPGDMGLLALDH1A1KDM4EL3MBTL1
SCHEMBL5131563 0.89 CTNNB1 (0.41) MAPTADORA2AADORA1ABL1BCR
SCHEMBL3338041 0.89 HPGD (0.40) HPGDMGLLJAK1ALDH1A1HSD17B10
SCHEMBL5127579 0.87 HPGD (0.44) HPGDMGLLALDH1A1KDM4EL3MBTL1
SCHEMBL3335847 0.86 HPGD (0.43) HPGDJAK1ALDH1A1HSD17B10MAPT
SCHEMBL3335512 0.85 DPP4 (0.38) HPGDMGLLJAK1HSP90AA1JAK2
SCHEMBL3331181 0.83 DPP4 (0.37) HPGDMGLLJAK1HSP90AA1JAK2
SCHEMBL5127617 0.81 ALDH1A1 (0.44) HPGDALDH1A1KDM4EL3MBTL1HSD17B10

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 2 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

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 3242/4885MGLL 2808/4885JAK1 1051/4885

“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.