SCHEMBL6180855

SCHEMBL6180855

CCc1ccc(C(=O)CBr)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.53
GSK3B P49841 10/20 0.48
GNG2 P59768 1/20 0.47
GNB1 P62873 1/20 0.47
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL1367013 0.86 PTPN1 (0.53) PTPN1GSK3BGNG2GNB1MAPT
SCHEMBL4342176 0.86 PTPN1 (0.53) PTPN1GSK3BGNG2GNB1MAPT
SCHEMBL20202559 0.85 MAPT (0.55) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL366866 0.81 PTPN1 (0.61) PTPN1GSK3BRAB9A
SCHEMBL29628387 0.81 PTPN1 (0.61) PTPN1GSK3BRAB9A
SCHEMBL4345488 0.80 HDAC1 (0.56) PTPN1GSK3BGNG2GNB1ALDH1A1
SCHEMBL11808028 0.80 GSK3B (0.55) PTPN1GSK3BGNG2GNB1ALDH1A1
SCHEMBL6180535 0.79 MAOB (0.51) MAPTALDH1A1
SCHEMBL4124943 0.79 EPHX2 (0.55) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL1701124 0.78 PTPN1 (0.57) PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS SHOUTI INC. 2023-09-21 US disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR PTPN1 499/4885GSK3B 1798/4885GNG2 371/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 PTPN1 2400/4885GSK3B 344/4885GNG2 2702/4885

“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.