SCHEMBL3340183

SCHEMBL3340183

CNC(=O)c1cccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.50
NR1H4 Q96RI1 2/20 0.45
MAP4K4 O95819 3/20 0.45
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
DHFR P00374 1/20 0.41
SCN9A Q15858 3/20 0.41
CDK8 P49336 1/20 0.41
FABP1 P07148 1/20 0.41
KIT P10721 1/20 0.40
LRRK2 Q5S007 1/20 0.40
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
CNR2 P34972 1/20 0.39
PTGER4 P35408 1/20 0.39
CRBN Q96SW2 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
SCHEMBL3336243 0.87 TRIM58 (0.48) TRIM58MAP4K4AKT1AKT2PIK3CA
SCHEMBL3335317 0.87 MAP4K4 (0.48) MAP4K4DHFRCDK8
SCHEMBL5131652 0.87 TRIM58 (0.41) TRIM58AKT1AKT2SCN9ACNR2
SCHEMBL3336526 0.84 CNR1 (0.46) TRIM58AKT1AKT2SCN9APIK3CA
SCHEMBL3335859 0.82 TRIM58 (0.47) TRIM58NR1H4MAP4K4AKT1AKT2
SCHEMBL3336878 0.82 TRIM58 (0.46) TRIM58MAP4K4CNR2
SCHEMBL3337708 0.81 TRIM58 (0.49) TRIM58MAP4K4DHFRLRRK2PIP5K1C
SCHEMBL3334937 0.81 MAP4K4 (0.46) MAP4K4DHFRCDK8LRRK2CRBN
SCHEMBL3337208 0.81 CNR2 (0.47) TRIM58MAP4K4CNR2
SCHEMBL3334542 0.80 MEN1 (0.45) TRIM58MAP4K4

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 2 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

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 1431/4885NR1H4 555/4885MAP4K4 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.