SCHEMBL17186502

SCHEMBL17186502

CC(C)c1ccc(CCn2c(N)nc3[nH]cnc3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
PNP P00491 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
RGS12 O14924 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
PIK3CD O00329 1/20 0.36
DHFR P00374 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR18 Q14330 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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 SCHEMBL18605903 0.99 ADORA2B (0.38) ADORA2BADORA3PNPMAPTKDM4E
SCHEMBL3303762 0.88 PNP (0.42) ADORA2BADORA3PNPMAPTKDM4E
SCHEMBL17186341 0.87 ADORA3 (0.41) ADORA2BADORA3PNPMAPTKDM4E
Hydrochloric Acid SCHEMBL18605470 0.86 ADORA3 (0.40) ADORA2BADORA3PNPMAPTKDM4E
SCHEMBL17186294 0.85 ADORA3 (0.40) ADORA2BADORA3PNPMAPTKDM4E
SCHEMBL17186253 0.85 ADORA3 (0.51) ADORA2BADORA3PNPMAPTKDM4E
SCHEMBL6268523 0.84 ADORA2B (0.53) ADORA2BADORA3PNPMAPTKDM4E
Hydrochloric Acid SCHEMBL18605670 0.84 ADORA3 (0.39) ADORA2BADORA3PNPMAPTKDM4E
Hydrochloric Acid SCHEMBL17186528 0.84 ADORA3 (0.50) ADORA2BADORA3PNPMAPTKDM4E
Hydrochloric Acid SCHEMBL17186427 0.83 ADORA2B (0.52) ADORA2BADORA3PNPMAPTKDM4E

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 ADORA2B 1776/4885ADORA3 1244/4885PNP 292/4885

“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.