SCHEMBL3336607

SCHEMBL3336607

CCCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.46
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
MAPK10 P53779 1/20 0.44
MOK Q9UQ07 4/20 0.44
MAPK8 P45983 2/20 0.43
TTK P33981 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
FDPS P14324 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G2A P14555 1/20 0.40
PDE10A Q9Y233 1/20 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
SCHEMBL3339894 0.94 BRAF (0.47) BRAFHPGDMAPK10MOKMAPK8
SCHEMBL3336253 0.90 PTGS1 (0.42) MAPK8KMT2AMEN1ALDH1A1PLA2G2A
SCHEMBL3331750 0.90 TTK (0.48) BRAFHPGDMAPK10MOKMAPK8
SCHEMBL3336288 0.89 MOK (0.47) BRAFHPGDMAPK10MOKSMN1; SMN2
SCHEMBL3335821 0.88 HPGD (0.44) BRAFHPGDRECQLMAPK10MOK
SCHEMBL5129448 0.87 JAK2 (0.43) BRAFHPGDMOKSMN1; SMN2FDPS
SCHEMBL3341513 0.86 ACHE (0.48) BRAFSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5127603 0.86 BRAF (0.36) BRAFHPGDRECQLMAPK10MOK
SCHEMBL3335706 0.85 NAMPT (0.42) BRAFHPGDMAPK8LMNACYP1A2
SCHEMBL3336347 0.84 RAB9A (0.53) BRAFHPGDRECQLMAPK10MAPK8

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 BRAF 2516/4885HPGD 3242/4885RECQL 291/4885

“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.