SCHEMBL3335680

SCHEMBL3335680

CN(C)CCNC(=O)c1ccc(-c2ccc3nc(N)nc(O[C@H]4CCOC4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.45
BRAF P15056 1/20 0.41
PIK3CA P42336 7/20 0.40
MTOR P42345 7/20 0.40
PIK3CG P48736 5/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
ROCK2 O75116 3/20 0.38
EGFR P00533 1/20 0.38
ACP1 P24666 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL3335691 1.00 MELK (0.45) MELKBRAFPIK3CAMTORPIK3CG
SCHEMBL5131249 0.91 PIK3CA (0.51) PIK3CAMTORPIK3CGROCK2
SCHEMBL3336061 0.86 CD274 (0.54) PIK3CAMTORPIK3CG
SCHEMBL3335079 0.86 PIK3CA (0.54) BRAFPIK3CAMTORPIK3CG
SCHEMBL3336059 0.86 CD274 (0.54) PIK3CAMTORPIK3CG
SCHEMBL3335087 0.86 PIK3CA (0.54) BRAFPIK3CAMTORPIK3CG
SCHEMBL3336644 0.85 MEN1 (0.42) HDAC4HDAC6ROCK2
SCHEMBL3336650 0.85 MEN1 (0.42) HDAC4HDAC6ROCK2
SCHEMBL3335228 0.85 LIPG (0.38) PIK3CAMTORPIK3CGACP1
SCHEMBL3335235 0.85 LIPG (0.38) PIK3CAMTORPIK3CGACP1

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 MELK 2327/4885BRAF 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.