SCHEMBL17186408

SCHEMBL17186408

CC(c1cccs1)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.40
▸ PIK3CD O00329 6/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PIK3CG P48736 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ PIK3CA P42336 1/20 0.34

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 SCHEMBL18605989 0.99 MGMT (0.40) MGMTPIK3CDPDE4APDE4BPDE4C
SCHEMBL5265324 0.86 MGMT (0.40) MGMTPIK3CDPDE4APDE4BPDE4C
SCHEMBL17186400 0.81 SIGMAR1 (0.35) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL6952184 0.81 SLC2A1 (0.41) PIK3CDPIK3CGPNPPDPK1GDA
Hydrochloric Acid SCHEMBL17186284 0.81 SIGMAR1 (0.35) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL27335385 0.79 PNP (0.35) PIK3CDPIK3CGPNPHRH4PDPK1
SCHEMBL2385930 0.78 ADORA2B (0.50) PNPHRH4PDPK1GDACDK1
SCHEMBL9806974 0.77 PNP (0.44) PNPHRH4PDPK1GDACDK1
SCHEMBL441798 0.76 DPP4 (0.44) PNPHRH4PDPK1GDACDK1
SCHEMBL6751932 0.76 PNP (0.43) MGMTPNPPDPK1GDACDK1

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 MGMT 663/4885PIK3CD 703/4885PDE4A 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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