SCHEMBL6268523

SCHEMBL6268523

Nc1nc2[nH]cnc2c(=O)n1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.53
ADORA3 P0DMS8 4/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 2/20 0.48
RGS12 O14924 2/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 2/20 0.48
PNP P00491 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PLK1 P53350 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CASR P41180 1/20 0.40
PIK3C2A O00443 1/20 0.39
PIK3C2B O00750 1/20 0.39
ALDH1A1 P00352 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 SCHEMBL17186427 0.99 ADORA2B (0.52) ADORA2BADORA3KMT2AMEN1KDM4E
SCHEMBL17186253 0.97 ADORA3 (0.51) ADORA2BADORA3KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186528 0.96 ADORA3 (0.50) ADORA2BADORA3KMT2AMEN1KDM4E
SCHEMBL17186483 0.93 ADORA3 (0.46) ADORA2BADORA3KMT2AMEN1KDM4E
SCHEMBL17186230 0.93 ADORA3 (0.53) ADORA2BADORA3KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186273 0.92 ADORA3 (0.46) ADORA2BADORA3KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186399 0.91 ADORA3 (0.52) ADORA2BADORA3KMT2AMEN1KDM4E
SCHEMBL17186529 0.90 ADORA3 (0.44) ADORA2BADORA3KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL17186458 0.89 ADORA3 (0.43) ADORA2BADORA3KMT2AMEN1KDM4E
SCHEMBL17186294 0.88 ADORA3 (0.40) ADORA2BADORA3KMT2AMEN1KDM4E

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 12 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
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-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 EP disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 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 ADORA2B 1776/4885ADORA3 1244/4885KMT2A 1792/4885

“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.