SCHEMBL3335653

SCHEMBL3335653

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
BRAF P15056 1/20 0.45
PIK3CA P42336 2/20 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
TRIM58 Q8NG06 1/20 0.40
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
FDPS P14324 1/20 0.40
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 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3341530 0.92 PIK3CA (0.44) SYKBRAFPIK3CAHTTSMN1; SMN2
SCHEMBL3340067 0.88 MAPK10 (0.43) SYKBRAFPIK3CAMAPK10HTT
SCHEMBL3331750 0.87 TTK (0.48) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3336076 0.87 ACHE (0.47) PIK3CASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3333273 0.86 KMT2A (0.47) SYKBRAFPIK3CAMAPK10HTT
SCHEMBL5131696 0.85 TRIM58 (0.47) SYKBRAFPIK3CAMAPK10TRIM58
SCHEMBL3339894 0.85 BRAF (0.47) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3338589 0.85 RAB9A (0.52) SYKBRAFMAPK10HTTSMN1; SMN2
SCHEMBL3336607 0.84 BRAF (0.46) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3336288 0.84 MOK (0.47) 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 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 SYK 1709/4885BRAF 2516/4885PIK3CA 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.