SCHEMBL3335286

SCHEMBL3335286

CC(=O)Nc1ccc(-c2ccc3ncnc(OCc4ccccc4)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
MAP4K4 O95819 3/20 0.51
JAK2 O60674 1/20 0.50
FDPS P14324 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PPIA P62937 1/20 0.49
MAP3K8 P41279 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
CYP19A1 P11511 1/20 0.47
MTOR P42345 1/20 0.46
MAPT P10636 1/20 0.46
EGFR P00533 1/20 0.46
CSF1R P07333 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5131672 0.90 RAB9A (0.49) RAB9AMAP4K4JAK2FDPSCYP11B1
SCHEMBL3340079 0.86 JAK2 (0.47) JAK2FDPSCYP11B1CYP11B2PPIA
SCHEMBL3338478 0.85 RAB9A (0.56) RAB9AMAP4K4MAP3K8MEN1KMT2A
SCHEMBL3341282 0.85 GHSR (0.54) MAP4K4JAK2FDPSCYP11B1CYP11B2
SCHEMBL3339885 0.83 RAB9A (0.54) RAB9AMAP4K4FDPSMAP3K8RAF1
SCHEMBL3337222 0.83 MAP4K4 (0.55) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3338466 0.82 RAB9A (0.53) RAB9AMAP4K4MAP3K8MEN1KMT2A
SCHEMBL3336347 0.82 RAB9A (0.53) RAB9AMAP4K4FDPSMAP3K8MEN1
SCHEMBL3338589 0.81 RAB9A (0.52) RAB9AMAP4K4FDPSMAP3K8RAF1
SCHEMBL5129448 0.81 JAK2 (0.43) JAK2FDPSCYP11B1CYP11B2PPIA

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 RAB9A 1092/4885MAP4K4 2433/4885JAK2 1107/4885

“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.