SCHEMBL17186452

SCHEMBL17186452

CC(c1ccc2c(c1)OCO2)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 17/20 0.45
▸ CDK2 P24941 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ OPRM1 P35372 1/20 0.39

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 SCHEMBL18605857 0.99 OGA (0.44) OGACDK2PIK3CAMTORPIK3CG
SCHEMBL17186445 0.83 OGA (0.45) OGA
Hydrochloric Acid SCHEMBL18605853 0.82 OGA (0.44) OGA
SCHEMBL6952184 0.79 SLC2A1 (0.41) CDK2PIK3CAPIK3CG
SCHEMBL27335385 0.75 PNP (0.35) CDK2PIK3CAMTORPIK3CG
SCHEMBL4964137 0.74 CMA1 (0.45) CDK2PIK3CAMTORPIK3CG
SCHEMBL2385930 0.74 ADORA2B (0.50) CDK2
Hydrochloric Acid SCHEMBL18605696 0.74 CMA1 (0.44) CDK2PIK3CAMTORPIK3CG
SCHEMBL17186447 0.73 PIK3CA (0.42) CDK2PIK3CAMTORPIK3CG
SCHEMBL9806974 0.73 PNP (0.44) CDK2

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 5 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

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 OGA 314/4885CDK2 866/4885PIK3CA 900/4885

“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.

Send feedback