SCHEMBL1773395

SCHEMBL1773395

CC1=Nc2ccccc2Nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD4 P21917 3/20 0.51
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
ACVR1 Q04771 2/20 0.41
LRRK2 Q5S007 2/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CHRM1 P11229 5/20 0.40
DRD3 P35462 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DRD1 P21728 2/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MCL1 Q07820 1/20 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
SCHEMBL13819788 0.84 CSNK1G1 (0.51) DRD2DRD4LMNAMAPTGAA
SCHEMBL12232289 0.81 DRD2 (0.59) DRD2DRD4LMNAMAPTCHRM1
SCHEMBL4573048 0.79 LMNA (0.42) DRD2DRD4LMNAMAPTGAA
SCHEMBL1773392 0.76 DRD2 (0.47) DRD2DRD4LMNAMAPTGAA
SCHEMBL30962458 0.76 DRD2 (0.47) DRD2DRD4LMNAMAPTGAA
SCHEMBL4204909 0.76 CYP1A2 (0.48) DRD2DRD4LMNAMAPTGAA
SCHEMBL1367685 0.76 DRD2 (0.47) DRD2DRD4LMNAMAPTGAA
SCHEMBL12355741 0.76 LMNA (0.40) DRD2DRD4LMNAMAPTGAA
SCHEMBL12045008 0.76 DRD2 (0.48) DRD2DRD4LMNAMAPTGAA
SCHEMBL12195999 0.76 DRD2 (0.48) DRD2DRD4LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US claimed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US claimed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP claimed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
EP-4124616-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2023-02-01 EP disclosed
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
EP-3309151-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2018-04-18 EP disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP disclosed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 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 (2 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-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 DRD2 2177/4885DRD4 2818/4885LMNA 942/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 DRD2 2338/4885DRD4 3338/4885LMNA 979/4885

“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.