SCHEMBL13622963

SCHEMBL13622963

CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.67
KMT2A Q03164 9/20 0.67
MAPT P10636 6/20 0.66
POLB P06746 1/20 0.66
BLM P54132 1/20 0.66
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SETD7 Q8WTS6 1/20 0.61
THRA P10827 1/20 0.56
HPGD P15428 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL7075396 0.94 MEN1 (0.73) MEN1KMT2AMAPTPOLBBLM
SCHEMBL31135773 0.89 SMN1; SMN2 (0.64) MEN1KMT2AMAPTPOLBBLM
SCHEMBL3222110 0.89 SMN1; SMN2 (0.64) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13623004 0.86 SENP5 (0.54) MEN1KMT2AMAPTPOLBBLM
Dinitrophenylene SCHEMBL27983378 0.84 MAPT (0.56) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL10943066 0.83 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13576560 0.83 MEN1 (0.88) MEN1KMT2AMAPTPOLBBLM
SCHEMBL29218291 0.83 MAPT (0.65) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL23899079 0.82 NAMPT (0.65) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28242373 0.81 MAPT (0.63) MEN1KMT2AMAPTPOLBALDH1A1

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
CN-111247137-A Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2020-06-05 CN disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MEN1 1321/4885KMT2A 382/4885MAPT 3239/4885

“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.