SCHEMBL4363763

SCHEMBL4363763

CCN(C(=O)c1ccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)cc1)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.50
USP2 O75604 5/20 0.50
CLK4 Q9HAZ1 5/20 0.50
CYP3A4 P08684 4/20 0.50
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 1/20 0.41
EGLN1 Q9GZT9 3/20 0.41
ATR Q13535 1/20 0.39
NPR1 P16066 4/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
MELK Q14680 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38

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
SCHEMBL4353937 0.92 NPR1 (0.42) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4359160 0.85 CYP1A2 (0.42) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4360313 0.82 EGLN1 (0.47) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4351970 0.82 ALOX15 (0.53) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4363790 0.82 HPGD (0.43) CYP1A2USP2CLK4CYP3A4ALDH1A1
SCHEMBL4353710 0.81 EGLN1 (0.52) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4354827 0.81 EGLN1 (0.52) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4358307 0.80 CYP1A2 (0.52) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4363766 0.80 CYP1A2 (0.46) CYP1A2USP2CLK4CYP3A4HSD17B10
SCHEMBL4356149 0.79 CYP1A2 (0.43) CYP1A2USP2CLK4CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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-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 (4 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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP1A2 1131/4885USP2 4093/4885CLK4 957/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP1A2 1129/4885USP2 3783/4885CLK4 960/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885USP2 3955/4885CLK4 1192/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885USP2 3955/4885CLK4 1192/4885

“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.