SCHEMBL5765255

SCHEMBL5765255

N#Cc1cnc2[nH]cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.39
RIPK1 Q13546 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
HPGDS O60760 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
IDO1 P14902 2/20 0.33

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
SCHEMBL29859759 1.00 KDM4E (0.39) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL503820 0.81 EGLN1 (0.33) KDM4EALDH1A1
SCHEMBL17520936 0.75 IP6K1 (0.37) ALDH1A1HTTCHEK1HPGDS
SCHEMBL503159 0.75 GABRA1 (0.31)
SCHEMBL6846640 0.72
SCHEMBL5255547 0.70 HPGDS (0.44) KDM4EALDH1A1HTTCHEK1RIPK1
SCHEMBL5255546 0.70 HPGDS (0.44) KDM4EALDH1A1HTTCHEK1HPGDS
SCHEMBL23731797 0.69 KDM4E (0.33) KDM4EALDH1A1GAA
SCHEMBL14858833 0.69 PARP1 (0.39) KDM4EALDH1A1GAA
SCHEMBL1104637 0.69 PARP1 (0.43) KDM4EALDH1A1CHEK1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP claimed
US-11274108-B2 Colony stimulating factor-1 receptor (CSF-1R) inhibitors GENZYME CORPORATION (US) 2022-03-15 US claimed
US-12331068-B2 Compositions and methods for inhibiting CD73 PELOTON THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
US-20250092040-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2025-03-20 US disclosed
EP-3810109-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING CD73 PELOTON THERAPEUTICS INC (US) 2024-08-07 EP disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11999730-B1 AKT1 modulators ALTEROME THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-20240174667-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-05-30 US disclosed
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 US disclosed
EP-3810109-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 Peloton Therapeutics, Inc. (US) 2021-04-28 EP disclosed
CN-107849039-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-03 CN disclosed
EP-3089973-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS Bristol-Myers Squibb Company (US) 2016-11-09 EP disclosed
US-9475806-B2 Complement factor B inhibitors and uses there of NOVARTIS AG (CH) 2016-10-25 US disclosed
US-20160024079-A1 Complement Factor B inhibitors and uses there of NOVARTIS AG (CH) 2016-01-28 US disclosed
US-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
WO-2015103453-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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 (10 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 KDM4E 2376/4885ALDH1A1 4692/4885LMNA 3201/4885
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 KDM4E 1503/4885ALDH1A1 868/4885LMNA 773/4885
US-11274108-B2 Colony stimulating factor-1 receptor (CSF-1R) inhibitors CSF1R, CSF3R, IL1RN KDM4E 4101/4885ALDH1A1 1512/4885LMNA 4858/4885
US-20160024079-A1 Complement Factor B inhibitors and uses there of CFB, CFH, CFD KDM4E 2994/4885ALDH1A1 3348/4885LMNA 726/4885
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A KDM4E 2434/4885ALDH1A1 1871/4885LMNA 3923/4885
US-12331068-B2 Compositions and methods for inhibiting CD73 ENTPD5, NT5E, ENTPD1 KDM4E 1503/4885ALDH1A1 868/4885LMNA 773/4885
US-20250092040-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 KDM4E 2376/4885ALDH1A1 4692/4885LMNA 3201/4885
US-11999730-B1 AKT1 modulators AKT1S1, AKT1, AKT2 KDM4E 2376/4885ALDH1A1 4692/4885LMNA 3201/4885
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS IRAK4, IRAK3, IRAK2 KDM4E 459/4885ALDH1A1 1647/4885LMNA 3020/4885
US-20240174667-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 KDM4E 2376/4885ALDH1A1 4692/4885LMNA 3201/4885

“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.