SCHEMBL3336495

SCHEMBL3336495

CNC(=O)c1ccc(-c2ccc3nc(N)nc(OC(C)C)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MMP9 P14780 1/20 0.38
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHEK2 O96017 1/20 0.38
IP6K1 Q92551 2/20 0.37

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
SCHEMBL3336523 0.91 IP6K1 (0.47) RXRARXRBMMP9ATMHDAC3
SCHEMBL3334937 0.90 MAP4K4 (0.46) MKNK1MKNK2RXRARXRBMMP9
SCHEMBL3336047 0.90 RXRA (0.38) RXRARXRBMMP9ATMHDAC3
SCHEMBL3335363 0.88 JAK2 (0.51) RXRARXRBMMP9HDAC3HDAC1
SCHEMBL3337836 0.87 KDM4E (0.42) HDAC1MEN1ALDH1A1HPGDKMT2A
SCHEMBL3333930 0.86 MAPK14 (0.49) ATRMEN1HPGDKMT2ANPSR1
SCHEMBL3336316 0.85 PTPN1 (0.50) MMP9ATMHDAC2MCHR1MEN1
SCHEMBL3331778 0.85 MKNK1 (0.39) MKNK1MKNK2PIK3CAMTORATM
SCHEMBL3336068 0.84 TP53 (0.49) HDAC1POLBHPGD
SCHEMBL3335422 0.84 SMN1; SMN2 (0.52) MEN1ALDH1A1LMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS 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 (1 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 MKNK1 3326/4885MKNK2 3288/4885PIK3CA 2646/4885

“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.