SCHEMBL18228021

SCHEMBL18228021

CC(C)(C)OC(=O)Nc1cc(C(=O)c2cccnc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.50
▸ RAB9A P51151 2/20 0.44
▸ GSK3B P49841 4/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP17A1 P05093 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL6177797 0.79 CYP17A1 (0.46) NAMPTGSK3BCYP17A1MAPTDYRK1A
SCHEMBL29465812 0.79 KDM4D (0.47) NAMPTGSK3BALDH1A1CYP17A1MAPT
SCHEMBL29626657 0.79 CYP17A1 (0.46) NAMPTGSK3BCYP17A1MAPTDYRK1A
SCHEMBL2080457 0.79 KDM4D (0.47) NAMPTGSK3BALDH1A1CYP17A1MAPT
SCHEMBL29640073 0.78 ATR (0.53) RAB9AGSK3BSMN1; SMN2CYP17A1MAPT
SCHEMBL14359967 0.78 ATR (0.53) RAB9AGSK3BSMN1; SMN2CYP17A1MAPT
SCHEMBL20571209 0.77 GSK3B (0.44) NAMPTRAB9AGSK3BCYP17A1NPC1
SCHEMBL21819593 0.76 ATR (0.45) NAMPTGSK3BCYP17A1DYRK1A
SCHEMBL25657241 0.76 ACACB (0.43) NAMPTRAB9AGSK3BGSK3ASMN1; SMN2
SCHEMBL18228273 0.76 NAMPT (0.45) NAMPTRAB9AGSK3BGSK3ACYP1A2

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
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 1511/4885GSK3B 1340/4885

“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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