SCHEMBL4966803

SCHEMBL4966803

Nc1nc2nc[nH]c2c(=O)n1Cc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.50
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39

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
Hydrochloric Acid SCHEMBL25426121 0.99 PNP (0.49) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL18250 0.86 PNP (0.66) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1980960 0.85 PNP (0.64) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL27868176 0.83 MGMT (0.52) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL8145522 0.83 HSP90B1 (0.49) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL17186357 0.83 PNP (0.44) PNPADORA3ADORA2BPDE4APDE4B
Hydrochloric Acid SCHEMBL17186506 0.83 PNP (0.53) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3308563 0.83 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1262627 0.83 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
Hydrochloric Acid SCHEMBL17186371 0.82 PNP (0.44) PNPADORA3ADORA2BPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO claimed
JP-4054057-B2 2008-02-27 JP claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP claimed
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 CN claimed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN claimed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO claimed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-0702683-B8 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2004-09-08 EP disclosed
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 CN disclosed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN disclosed
EP-0702683-A1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 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 (1 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 PNP 292/4885ADORA3 1244/4885ADORA2B 1776/4885

“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.