SCHEMBL4367767

SCHEMBL4367767

Fc1ccc(-c2ccc3nc(-c4cc[nH]n4)nc(NC4CC4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
ACP1 P24666 2/20 0.43
USP2 O75604 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NPR1 P16066 8/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4363691 0.80 GABBR2 (0.50) JAK2GABBR2GABBR1ACP1USP2
SCHEMBL4356115 0.78 CHEK1 (0.47) JAK2GABBR2GABBR1ACP1USP2
SCHEMBL4352010 0.77 GABBR2 (0.68) JAK2GABBR2GABBR1ACP1USP2
SCHEMBL4353731 0.75 GABBR2 (0.48) JAK2GABBR2GABBR1ACP1USP2
SCHEMBL4358023 0.74 GABBR2 (0.47) JAK2GABBR2GABBR1ACP1NPR1
SCHEMBL4354726 0.72 CYP1A2 (0.70) USP2CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL4349736 0.71 NPR1 (0.56) NPR1
SCHEMBL22249430 0.70 NLRP3 (0.44) JAK2ACP1USP2CYP1A2CYP3A4
SCHEMBL18041181 0.68 CHEK1 (0.42) JAK2GABBR2GABBR1ACP1USP2
SCHEMBL4363836 0.68 MAP4K4 (0.65) USP2CYP1A2CYP3A4CLK4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 JAK2 2877/4885GABBR2 1364/4885GABBR1 1509/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 JAK2 2611/4885GABBR2 1228/4885GABBR1 1368/4885

“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.