SCHEMBL4356010

SCHEMBL4356010

CC(C)CCNc1ncnc2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.54
HSD17B10 Q99714 16/20 0.54
CYP3A4 P08684 15/20 0.54
TSHR P16473 4/20 0.54
CYP1A2 P05177 17/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 4/20 0.52
CLK4 Q9HAZ1 13/20 0.47
USP2 O75604 12/20 0.47
CYP2C19 P33261 12/20 0.47
CYP2D6 P10635 12/20 0.47
MAPK1 P28482 8/20 0.47
LMNA P02545 6/20 0.47
MAP4K4 O95819 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX12 P18054 1/20 0.44
APEX1 P27695 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL4353687 0.91 CYP1A2 (0.51) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4359413 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4364147 0.85 CYP3A4 (0.52) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4353222 0.84 CYP1A2 (0.56) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4353661 0.82 CYP1A2 (0.57) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4358668 0.82 CYP1A2 (0.57) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4360353 0.81 PIK3CD (0.45) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4360637 0.81 MAP4K4 (0.51) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4366692 0.80 PIK3CD (0.49) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4362004 0.80 MAP4K4 (0.46) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US claimed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES 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 (5 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885HSD17B10 1268/4885CYP3A4 256/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885HSD17B10 1268/4885CYP3A4 256/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 ALDH1A1 2942/4885HSD17B10 1102/4885CYP3A4 274/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 ALDH1A1 3119/4885HSD17B10 1177/4885CYP3A4 271/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 ALDH1A1 3119/4885HSD17B10 1177/4885CYP3A4 271/4885

“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.