SCHEMBL5209725

SCHEMBL5209725

CSc1ncc(C(N)=O)c(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.45
PIM2 Q9P1W9 6/20 0.45
TTK P33981 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 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
SCHEMBL3084614 0.86 KDM4E (0.54) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL6073484 0.86 RAB9A (0.49) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL11249332 0.82 KDM4E (0.37) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL760623 0.82 MEN1 (0.46) PIM1PIM2TTKMEN1KMT2A
SCHEMBL16676801 0.82 AHR (0.54) PIM1PIM2TTKMEN1KMT2A
SCHEMBL14620831 0.82 SMN1; SMN2 (0.37) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL6833126 0.81 SMN1; SMN2 (0.52) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14625599 0.81 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL7563419 0.81 SMN1; SMN2 (0.49) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL22493927 0.81 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111757935-B Bivalent nucleic acid ligands and uses thereof 卡耐基梅隆大学 2025-02-21 CN disclosed
EP-3497103-B1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER (US) 2021-05-05 EP disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (4 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 PIM1 1096/4885PIM2 1601/4885TTK 4768/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 PIM1 1096/4885PIM2 1601/4885TTK 4768/4885
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS MAPK3, MAP3K3, MAP3K2 PIM1 1217/4885PIM2 853/4885TTK 1071/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 PIM1 1012/4885PIM2 1408/4885TTK 4765/4885

“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.