SCHEMBL3159846

SCHEMBL3159846

Cc1cccc(-c2ccncc2N[C@@H](C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.46
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
GSK3B P49841 3/20 0.43
MAPT P10636 2/20 0.43
GSK3A P49840 1/20 0.40
KDM4C Q9H3R0 3/20 0.40
KDM6B O15054 1/20 0.39
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TBXA2R P21731 1/20 0.38
HIF1A Q16665 1/20 0.38
CNR2 P34972 1/20 0.38
KMO O15229 1/20 0.38
ADORA1 P30542 1/20 0.38
IMPDH2 P12268 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL2001092 0.88 GSK3B (0.40) RPS6KA3AKR1C3AKR1C2GSK3BMAPT
SCHEMBL3151007 0.87 GSK3B (0.50) GSK3BMAPTGSK3AKDM4CCYP3A4
SCHEMBL3151005 0.87 GSK3B (0.50) GSK3BMAPTGSK3AKDM4CCYP3A4
SCHEMBL3156833 0.84 SLC22A12 (0.52) RPS6KA3AKR1C3AKR1C2GSK3BGSK3A
SCHEMBL3903670 0.82 GPBAR1 (0.47) GSK3BMAPTGSK3AKDM4CKDM6B
Alanine SCHEMBL17373190 0.81 AKR1C3 (0.43) AKR1C3AKR1C2GSK3BMAPTGSK3A
D-Alanine SCHEMBL17373191 0.81 AKR1C3 (0.43) AKR1C3AKR1C2GSK3BMAPTGSK3A
SCHEMBL2003108 0.78 KDM4C (0.45) KDM4CMCL1
Hydrochloric Acid SCHEMBL5508376 0.77 KDM4C (0.44) KDM4CMCL1
SCHEMBL1999410 0.75 SLC22A12 (0.49) AKR1C3AKR1C2GSK3BMAPTGSK3A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP claimed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US claimed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO claimed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 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 (2 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-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP RPS6KA3 3867/4885AKR1C3 1422/4885AKR1C2 1062/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP RPS6KA3 3793/4885AKR1C3 1991/4885AKR1C2 1450/4885

“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.