SCHEMBL3337025

SCHEMBL3337025

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OCC4CC4)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM58 Q8NG06 1/20 0.56
▸ HTR2A P28223 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HTR4 Q13639 1/20 0.47
▸ BRAF P15056 1/20 0.44
▸ MAPK10 P53779 1/20 0.43
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ FDPS P14324 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL3333859 0.91 TRIM58 (0.55) TRIM58HTR2AKCNH2HTR4MAPK10
SCHEMBL3337337 0.89 TRIM58 (0.48) TRIM58HTR2AKCNH2HTR4BRAF
SCHEMBL3337880 0.87 TRIM58 (0.51) TRIM58KMT2AMEN1ALDH1A1ADORA3
SCHEMBL5131696 0.86 TRIM58 (0.47) TRIM58HTR2AKCNH2HTR4BRAF
SCHEMBL3331750 0.86 TTK (0.48) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3337576 0.85 RAB9A (0.51) TRIM58HTR2AKCNH2HTR4BRAF
SCHEMBL3339894 0.84 BRAF (0.47) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3336288 0.83 MOK (0.47) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3336607 0.83 BRAF (0.46) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3336432 0.82 BRAF (0.48) BRAFMAPK10HTTSMN1; SMN2L3MBTL1

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 4 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
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 1431/4885HTR2A 2174/4885KCNH2 712/4885

“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.

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