Sugi Predict

Sugi Predict / Compounds / SCHEMBL5345465

SCHEMBL5345465

SCHEMBL5345465

CC(Oc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1)C1CCNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 8/20 0.49
▸ CDK5R1 Q15078 8/20 0.49
▸ DYRK1A Q13627 1/20 0.42
▸ ROCK1 Q13464 2/20 0.41
▸ CCNA2 P20248 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNA1 P78396 3/20 0.40
▸ CHEK1 O14757 1/20 0.38
▸ POLQ O75417 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ GPR142 Q7Z601 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TAAR1 Q96RJ0 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
SCHEMBL5342710 0.96 CDK5 (0.52) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5348467 0.93 CDK5 (0.52) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5346938 0.89 CDK5 (0.47) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL6867013 0.89 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345581 0.88 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5338727 0.87 CDK5 (0.50) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342649 0.85 CDK5 (0.52) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5341550 0.84 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5354577 0.84 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342249 0.84 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1CCNA2

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-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 — — US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 — — EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 — — US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 — — US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 — — WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 — — 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 (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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885DYRK1A 1751/4885

“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.