SCHEMBL528848

SCHEMBL528848

N#Cc1cccc2c(Cl)c(C(=O)O)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.49
XDH P47989 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38
EIF4EBP1 Q13541 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM4A O75164 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PSMD14 O00487 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3354007 0.84 HAVCR2 (0.43) HAVCR2XDHMEN1KMT2AKDM4E
SCHEMBL528517 0.81 KMT2A (0.64) MEN1KMT2AKDM4ERAB9AL3MBTL1
SCHEMBL7494135 0.80 HAVCR2 (0.72) HAVCR2MEN1KMT2AKDM4EKDM4A
SCHEMBL7641703 0.78 KDM4E (0.62) KDM4EKDM4ARAB9AEGLN1HIF1AN
SCHEMBL20138998 0.78 HAVCR2 (0.52) HAVCR2MEN1KMT2AKDM4EKDM4A
SCHEMBL2719152 0.78 HAVCR2 (0.52) HAVCR2MEN1KMT2AKDM4EKDM4A
SCHEMBL7494879 0.78 HAVCR2 (0.52) HAVCR2MEN1KMT2AKDM4ERAB9A
SCHEMBL4847999 0.76 TSHR (0.44) XDHTSHRSLC22A12NOTUMCA1
SCHEMBL1257667 0.74 MEN1 (0.51) HAVCR2MEN1KMT2A
Hydrochloric Acid SCHEMBL8537647 0.73 MEN1 (0.50) HAVCR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (3 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-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA HAVCR2 1618/4885XDH 1750/4885MEN1 563/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA HAVCR2 1618/4885XDH 1750/4885MEN1 563/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA HAVCR2 1618/4885XDH 1750/4885MEN1 563/4885

“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.