SCHEMBL20157280

SCHEMBL20157280

CCOC(=O)Cc1c(I)c[nH]c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL20157786 0.85 KDM4E (0.48) KDM4ECYP2C9KMT2ATDP1ALDH1A1
SCHEMBL20157286 0.71 KDM4E (0.45) KDM4ECYP2C9KMT2ATDP1ALDH1A1
SCHEMBL8579730 0.71 KMT2A (0.49) KDM4ECYP2C9KMT2ATDP1ALDH1A1
SCHEMBL20157276 0.70 PKM (0.48) KDM4ECYP2C9KMT2ATDP1ALDH1A1
SCHEMBL25664507 0.69 GAA (0.57) KDM4EKMT2ATDP1ALDH1A1HSD17B10
SCHEMBL16879815 0.69 KMT2A (0.47) KDM4ECYP2C9KMT2ATDP1ALDH1A1
SCHEMBL1627695 0.67 NLRP3 (0.48) KDM4ECYP2C9KMT2ATDP1ALDH1A1
SCHEMBL12000324 0.67 NLRP3 (0.48) KDM4EKMT2ATDP1ALDH1A1HSD17B10
SCHEMBL15689404 0.67 KDM4E (0.49) KDM4EKMT2AALDH1A1HSD17B10GAA
SCHEMBL24440125 0.66 GAA (0.40) KDM4EKMT2ATDP1ALDH1A1HSD17B10

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 KDM4E 2994/4885CYP2C9 3840/4885KMT2A 1082/4885

“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.