SCHEMBL18228461

SCHEMBL18228461

CC(C)(C)OC(=O)Nc1ccc(C(N)c2cccnc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ BCL2 P10415 2/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ METAP1 P53582 1/20 0.36

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
SCHEMBL18228273 0.86 NAMPT (0.45) NAMPTRAB9AMAPK1CYP2C19CYP3A4
SCHEMBL22606745 0.79 DEGS1 (0.48) NAMPTRAB9AHDAC1CYP17A1MAPK1
SCHEMBL24738966 0.79 GSK3B (0.43) NAMPTRAB9AHDAC1CYP17A1MAPK1
SCHEMBL30506468 0.79 DEGS1 (0.48) NAMPTRAB9AHDAC1CYP17A1MAPK1
SCHEMBL31726922 0.77 MAPK1 (0.43) NAMPTRAB9AHDAC1CYP17A1MAPK1
SCHEMBL16296314 0.76 GSK3B (0.41) NAMPTRAB9AHDAC1CYP17A1MAPK1
SCHEMBL28071467 0.76 GSK3B (0.41) NAMPTRAB9AHDAC1CYP17A1MAPK1
SCHEMBL18228439 0.76 GPR55 (0.40) CYP17A1CYP3A4SMN1; SMN2POLB
SCHEMBL2214539 0.75 GRIN2B (0.38) NAMPTHDAC1CYP17A1MAPK1BCL2
SCHEMBL27946209 0.75 MAPK1 (0.42) NAMPTHDAC1CYP17A1MAPK1BCL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 — — EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 NAMPT 341/4885RAB9A 1511/4885HDAC1 2844/4885

“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.

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