SCHEMBL5345119

SCHEMBL5345119

O=C(Nc1cccnc1)Nc1csc(-c2cccnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.67
CDK5R1 Q15078 3/20 0.67
IRAK4 Q9NWZ3 6/20 0.59
TSHR P16473 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
CYP19A1 P11511 1/20 0.54
AXL P30530 1/20 0.54
PBRM1 Q86U86 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TLR7 Q9NYK1 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL5345865 0.93 CDK5 (0.63) CDK5CDK5R1IRAK4HDAC6RAB9A
SCHEMBL5788420 0.90 CDK5 (0.70) CDK5CDK5R1IRAK4HDAC6RAB9A
SCHEMBL5342305 0.85 CDK5 (0.77) CDK5CDK5R1IRAK4TSHRHDAC6
SCHEMBL21682845 0.85 CDK5 (0.64) CDK5CDK5R1TSHRHDAC6RAB9A
SCHEMBL5337575 0.84 CYP19A1 (0.60) CDK5CDK5R1HDAC6RAB9ANPC1
SCHEMBL14558736 0.83 CDK5 (0.54) CDK5CDK5R1IRAK4HDAC6RAB9A
SCHEMBL5346853 0.83 EGFR (0.54) CDK5CDK5R1IRAK4HDAC6RAB9A
SCHEMBL6758522 0.83 HDAC6 (0.58) CDK5CDK5R1IRAK4HDAC6RAB9A
SCHEMBL5347542 0.82 CDK5 (0.56) CDK5CDK5R1IRAK4HDAC6RAB9A
SCHEMBL5338292 0.81 CDK5 (0.55) CDK5CDK5R1IRAK4HDAC6RAB9A

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 13 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
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-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP 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
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (4 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 359/4885IRAK4 2587/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 40/4885CDK5R1 244/4885IRAK4 4178/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885IRAK4 2587/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885IRAK4 2587/4885

“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.