SCHEMBL17186337

SCHEMBL17186337

Cc1ccc(Cn2c(N)nc3nc[nH]c3c2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.39
PIN1 Q13526 2/20 0.38
HSP90B1 P14625 2/20 0.38
TRAP1 Q12931 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA2B P29275 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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 SCHEMBL17186219 0.99 PNP (0.38) PNPPIN1HSP90B1TRAP1HSP90AA1
SCHEMBL18605637 0.89 ADORA2B (0.38) PNPPIN1PDE4APDE4BPDE4C
SCHEMBL18605738 0.89 HSP90AB1 (0.42) PNPHSP90B1TRAP1HSP90AA1PDE4A
SCHEMBL17186522 0.89 TRAP1 (0.50) PNPPIN1HSP90B1TRAP1HSP90AA1
Hydrochloric Acid SCHEMBL18605417 0.88 ADORA2B (0.38) PNPPIN1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL18605833 0.88 TRAP1 (0.49) PNPPIN1HSP90B1TRAP1HSP90AA1
Hydrochloric Acid SCHEMBL18605927 0.88 HSP90AB1 (0.41) PNPHSP90B1TRAP1HSP90AA1PDE4A
SCHEMBL9434942 0.86 PNP (0.45) PNPPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL18606029 0.85 PNP (0.44) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL3303816 0.83 KDM4E (0.51) PNPPIN1PDE4APDE4BPDE4C

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 7 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

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 292/4885PIN1 1818/4885HSP90B1 924/4885

“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.