SCHEMBL4353593

SCHEMBL4353593

CC(C)CCNc1ncnc2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
USP2 O75604 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
MKNK2 Q9HBH9 9/20 0.48
MKNK1 Q9BUB5 4/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
PIM1 P11309 1/20 0.46
BRAF P15056 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL4355569 0.90 CDK1 (0.60) CDK1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL4353175 0.89 CYP1A2 (0.62) CDK1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL4367553 0.84 CYP1A2 (0.47) HSD17B10ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL4357360 0.82 PIK3CD (0.57) CDK1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL4353222 0.81 CYP1A2 (0.56) HSD17B10ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL4358668 0.79 CYP1A2 (0.57) HSD17B10ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL4353661 0.79 CYP1A2 (0.57) HSD17B10ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL4362798 0.79 TLR9 (0.46) HSD17B10ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL4353350 0.79 TLR9 (0.45) HSD17B10ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL4359413 0.78 ALDH1A1 (0.56) HSD17B10ALDH1A1CYP1A2CYP3A4USP2

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
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-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 (3 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 CDK1 1884/4885HSD17B10 1268/4885ALDH1A1 2743/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CDK1 1884/4885HSD17B10 1268/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CDK1 1763/4885HSD17B10 1102/4885ALDH1A1 2942/4885

“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.