SCHEMBL17186381

SCHEMBL17186381

CC(Cn1c(N)nc2nc[nH]c2c1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.44
▸ ADORA2B P29275 5/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA3 P0DMS8 3/20 0.41
▸ CFTR P13569 2/20 0.41
▸ SLC2A1 P11166 1/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ PDE1A P54750 2/20 0.39
▸ PDE1B Q01064 2/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADORA1 P30542 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
SCHEMBL18605636 1.00 PNP (0.44) PNPADORA2BADORA2AADORA3CFTR
Hydrochloric Acid SCHEMBL18605735 0.99 PNP (0.44) PNPADORA2BADORA2AADORA3CFTR
Hydrochloric Acid SCHEMBL18605734 0.99 PNP (0.44) PNPADORA2BADORA2AADORA3CFTR
SCHEMBL5504400 0.83 ADORA2A (0.59) PNPADORA2BADORA2ACFTRPDE2A
SCHEMBL17186378 0.81 PNP (0.39) PNPADORA2BADORA2AADORA3CFTR
SCHEMBL18605634 0.81 PNP (0.39) PNPADORA2BADORA2AADORA3CFTR
Hydrochloric Acid SCHEMBL17186422 0.80 PNP (0.39) PNPADORA2BADORA2AADORA3CFTR
SCHEMBL6952184 0.79 SLC2A1 (0.41) PNPADORA2BADORA3SLC2A1MAPK1
SCHEMBL18250 0.79 PNP (0.66) PNPADORA2BADORA3PDE4APDE4B
SCHEMBL1980960 0.78 PNP (0.64) PNPADORA2BADORA3PDE4APDE4B

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 292/4885ADORA2B 1776/4885ADORA2A 844/4885

“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.

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