SCHEMBL5354502

SCHEMBL5354502

O=C(Nc1cccc(OCC2CNC2)n1)Nc1csc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CDK5 Q00535 12/20 0.35
CDK5R1 Q15078 12/20 0.35
CNR2 P34972 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
RAB9A P51151 2/20 0.34
CCNA2 P20248 6/20 0.34
CDK2 P24941 6/20 0.34
CCNA1 P78396 6/20 0.34
BTK Q06187 1/20 0.33
MEN1 O00255 1/20 0.33
GBA1 P04062 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF18A Q8NI77 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
SCHEMBL5345041 0.90 EP300 (0.41) MAPK8PIM1PIM3PIM2CNR2
SCHEMBL5347500 0.88 PIM1 (0.40) MAPK8PIM1PIM3PIM2CDK5
SCHEMBL5341571 0.86 CDK5 (0.49) MAPK8PIM1PIM3PIM2CDK5
SCHEMBL5343883 0.85 CDK5 (0.56) MAPK8PIM1PIM3PIM2CDK5
SCHEMBL5348213 0.82 PIM2 (0.39) MAPK8PIM1PIM3PIM2CDK5
SCHEMBL5338238 0.80 NAMPT (0.39) MAPK8CDK5CDK5R1CCNA2CDK2
SCHEMBL5354930 0.79 KDM4E (0.41) CNR2KIF18A
SCHEMBL5343142 0.78 PIM3 (0.41) MAPK8PIM3PIM2CDK5CDK5R1
SCHEMBL14558859 0.78 CHRNB2 (0.42)
SCHEMBL5346420 0.78 CHRNB2 (0.42)

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 15 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 claimed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP claimed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
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-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 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 (3 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 MAPK8 2941/4885PIM1 452/4885PIM3 931/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX MAPK8 2941/4885PIM1 452/4885PIM3 931/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX MAPK8 2941/4885PIM1 452/4885PIM3 931/4885

“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.