SCHEMBL3340775

SCHEMBL3340775

CCCOc1nc(N)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.44
MAP4K4 O95819 4/20 0.43
LIMK1 P53667 1/20 0.43
MAPK8 P45983 2/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K2 Q12851 1/20 0.43
PKN2 Q16513 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
MOK Q9UQ07 4/20 0.42
GHSR Q92847 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTK P33981 1/20 0.41
BRAF P15056 1/20 0.41
CSF1R P07333 1/20 0.41
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL3335821 0.95 HPGD (0.44) MAPK10MAP4K4LIMK1MAPK8MOK
SCHEMBL5129183 0.92 GHSR (0.49) MAP4K4MOKGHSRSMN1; SMN2CSF1R
SCHEMBL3335192 0.91 TTK (0.47) MAPK10MAP4K4LIMK1MAPK8MOK
SCHEMBL3337175 0.90 MOK (0.46) MAPK10MAP4K4LIMK1MOKGHSR
SCHEMBL3339894 0.88 BRAF (0.47) MAPK10MAPK8MOKHTTSMN1; SMN2
SCHEMBL3335960 0.85 KMT2A (0.46) MAPK10MAP4K4LIMK1GHSRHTT
SCHEMBL3340067 0.85 MAPK10 (0.43) MAPK10MAP4K4LIMK1GHSRHTT
SCHEMBL3341282 0.85 GHSR (0.54) MAPK10MAP4K4GHSRSMN1; SMN2CSF1R
SCHEMBL3337337 0.84 TRIM58 (0.48) MAPK10MAP4K4LIMK1GHSRHTT
SCHEMBL3339885 0.83 RAB9A (0.54) MAPK10MAP4K4LIMK1HTTSMN1; SMN2

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
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 MAPK10 2778/4885MAP4K4 2433/4885LIMK1 4668/4885

“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.