SCHEMBL3336480

SCHEMBL3336480

N#Cc1cccc(-c2ccc3nc(N)nc(OCC4CCC4)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.48
ADORA2A P29274 2/20 0.48
MAP4K4 O95819 1/20 0.48
ADORA1 P30542 1/20 0.45
CDK2 P24941 4/20 0.44
CCNA2 P20248 3/20 0.44
CCNA1 P78396 2/20 0.44
AKT1 P31749 2/20 0.43
CYP1A2 P05177 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 2/20 0.41
HIF1A Q16665 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3334508 0.90 TRIM58 (0.48) TRIM58MAP4K4CDK2CCNA2CCNA1
SCHEMBL3337685 0.84 ADORA2A (0.53) ADORA2AMAP4K4ADORA1CYP1A2CLK4
SCHEMBL3338234 0.82 TRIM58 (0.48) TRIM58ADORA2AADORA1CDK2CCNA2
SCHEMBL3337046 0.82 TRIM58 (0.47) TRIM58CDK2CCNA2CCNA1CYP1A2
SCHEMBL3338737 0.81 TRIM58 (0.47) TRIM58ADORA2AMAP4K4CDK2CCNA2
SCHEMBL3337015 0.81 TRIM58 (0.47) TRIM58MAP4K4CDK2CCNA2CCNA1
SCHEMBL3332879 0.81 TRIM58 (0.50) TRIM58ADORA2AMAP4K4CDK2CCNA2
SCHEMBL3332960 0.81 TRIM58 (0.48) TRIM58MAP4K4CDK2CCNA2CCNA1
SCHEMBL3336558 0.81 ADORA2A (0.50) ADORA2AMAP4K4ADORA1AKT1CYP1A2
SCHEMBL3337708 0.81 TRIM58 (0.49) TRIM58ADORA2AMAP4K4ADORA1CDK2

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 5 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

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 TRIM58 1431/4885ADORA2A 1968/4885MAP4K4 2433/4885

“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.