SCHEMBL4366557

SCHEMBL4366557

CN1CCN(c2ncnc3ccc(-c4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.70
CYP1A2 P05177 13/20 0.70
ALDH1A1 P00352 12/20 0.70
HIF1A Q16665 11/20 0.70
CLK4 Q9HAZ1 10/20 0.70
LMNA P02545 8/20 0.70
CYP2D6 P10635 8/20 0.70
USP2 O75604 7/20 0.70
MAPK1 P28482 7/20 0.70
CYP2C19 P33261 6/20 0.70
TSHR P16473 5/20 0.70
HSD17B10 Q99714 1/20 0.70
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
ALOX15 P16050 1/20 0.67
HTT P42858 2/20 0.64
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HRH4 Q9H3N8 1/20 0.58

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
SCHEMBL4351539 0.87 CYP3A4 (0.68) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL4361869 0.86 HTT (0.55) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL4363813 0.85 ACHE (0.59) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL4351394 0.84 CYP3A4 (0.70) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL4358571 0.84 AKT1 (0.65) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL4360621 0.81 CYP3A4 (0.73) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL4362417 0.81 CYP3A4 (0.68) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL28638711 0.81 CYP1A2 (0.67) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL3850109 0.80 CYP3A4 (0.65) CYP3A4CYP1A2ALDH1A1HIF1ACLK4
SCHEMBL29765666 0.80 AKT1 (0.60) CYP3A4HIF1ACLK4AKT1

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 7 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
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

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 CYP3A4 256/4885CYP1A2 1131/4885ALDH1A1 2743/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP3A4 256/4885CYP1A2 1131/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP3A4 274/4885CYP1A2 1129/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CYP3A4 271/4885CYP1A2 1078/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CYP3A4 271/4885CYP1A2 1078/4885ALDH1A1 3119/4885

“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.