SCHEMBL4034928

SCHEMBL4034928

O=c1[nH]ncc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ADORA2A P29274 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
XDH P47989 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MKNK1 Q9BUB5 1/20 0.45
PDPK1 O15530 3/20 0.43
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
ACVR1 Q04771 4/20 0.39
PARP1 P09874 3/20 0.38

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
SCHEMBL670689 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ADORA2ALMNATSHRSLC6A4
SCHEMBL9127861 0.69
SCHEMBL906665 0.68 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1PDPK1KDM4AKDM4B
SCHEMBL9049460 0.67 ADORA2A (0.55) SMN1; SMN2ADORA2ALMNATSHRSLC6A4
SCHEMBL1221476 0.67 PNP (0.47) SMN1; SMN2ADORA2ALMNATSHRSLC6A4
SCHEMBL4564464 0.66 HSD17B10 (0.50) SMN1; SMN2ADORA2ALMNATSHRSLC6A4
SCHEMBL1921269 0.64 ACHE (0.44) SMN1; SMN2ADORA2ABLMALDH1A1PDPK1
Dezaguanine SCHEMBL29384550 0.64 PNP (0.53) SMN1; SMN2ADORA2ABLMALDH1A1PDPK1
SCHEMBL1415174 0.64 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1PDPK1KDM4AKDM4B
SCHEMBL2473003 0.64 ALDH1A1 (0.64) SMN1; SMN2ADORA2ALMNATSHRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397142-B1 Use of DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2022-07-27 EP claimed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
EP-4104838-A1 Use of DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP disclosed
EP-2397142-B1 Use of DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2022-07-27 EP disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
US-6518271-B1 1H-imidazo[4,5-d]pyridazin-7-one, and corresponding thiones as corticotropin releasing factor (CRF) receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2003-02-11 US disclosed
US-6518271-B1 1H-imidazo[4,5-d]pyridazin-7-one, and corresponding thiones as corticotropin releasing factor (CRF) receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2003-02-11 US disclosed
EP-1140929-A4 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS DU PONT PHARM CO (US) 2002-04-17 EP disclosed
EP-1140929-A1 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
US-6271380-B1 TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
US-6271380-B1 TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-2000039127-A1 1H-IMIDAZO[4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO[4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP 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-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SMN1; SMN2 3212/4885ADORA2A 4278/4885LMNA 925/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SMN1; SMN2 3271/4885ADORA2A 4227/4885LMNA 881/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SMN1; SMN2 3212/4885ADORA2A 4278/4885LMNA 925/4885

“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.