SCHEMBL3072756

SCHEMBL3072756

COC(=O)c1cccc2c1ncn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
EGLN1 Q9GZT9 2/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PSMD14 O00487 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
PIK3CB P42338 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
SCHEMBL12226875 0.84 TSHR (0.51) KDM4EKMT2AGAATSHRALDH1A1
SCHEMBL27801091 0.83 LCK (0.42) NR4A2PKN1PKN2KDM4EKMT2A
SCHEMBL15808993 0.82 EGLN1 (0.43) KDM4EKMT2ALMNATSHRALDH1A1
SCHEMBL27249587 0.81 PARP1 (0.47) PKN1PKN2KDM4E
SCHEMBL12894984 0.81 NR4A2 (0.52) NR4A2KDM4EKMT2AATMGAA
SCHEMBL18038113 0.80 EGLN1 (0.48) KDM4EALDH1A1EGLN1
SCHEMBL2431601 0.80 NR4A2 (0.42) NR4A2KDM4EKMT2AGAAALDH1A1
SCHEMBL18038344 0.78 KDM4E (0.43) NR4A2KDM4EGAALMNATSHR
SCHEMBL12970566 0.78 CHEK1 (0.44) NR4A2PKN2KMT2ALMNAMAPT
SCHEMBL27185396 0.78 PDE4A (0.40) NR4A2KDM4EATMGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040026-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2021-06-22 US disclosed
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2019-11-14 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 NR4A2 824/4885PKN1 2479/4885PKN2 1221/4885
US-11040026-B2 Muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 NR4A2 611/4885PKN1 1419/4885PKN2 2370/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 NR4A2 824/4885PKN1 2479/4885PKN2 1221/4885
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM3 NR4A2 611/4885PKN1 1419/4885PKN2 2370/4885

“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.