SCHEMBL17186400

SCHEMBL17186400

CC(c1cccs1)n1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ PIK3CD O00329 3/20 0.31
▸ IDH1 O75874 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ KLK7 P49862 1/20 0.30
▸ TSHR P16473 1/20 0.30

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 SCHEMBL17186284 0.99 SIGMAR1 (0.35) SIGMAR1KDM5BPDE4APDE4BPDE4C
SCHEMBL17186408 0.81 MGMT (0.40) SIGMAR1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL18605989 0.81 MGMT (0.40) SIGMAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6811648 0.79 KDM5B (0.33) KDM5BALOX5
SCHEMBL5021599 0.78 ADORA2B (0.43) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL9806961 0.77 ADORA2B (0.36) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL6751928 0.76 ADORA2B (0.35) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL441795 0.76 ADORA2B (0.35) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL17186305 0.73 PNP (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL17186215 0.72 CHRM2 (0.39) —

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 SIGMAR1 4102/4885KDM5B 1084/4885PDE4A 515/4885

“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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