SCHEMBL5348176

SCHEMBL5348176

O=C(Nc1ccccn1)Nc1csc(-c2ccncc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 1.00
CDK5R1 Q15078 6/20 1.00
LMNA P02545 1/20 0.61
NPC1 O15118 6/20 0.57
CCNA2 P20248 2/20 0.54
CDK2 P24941 2/20 0.54
CCNA1 P78396 2/20 0.54
RAB9A P51151 5/20 0.52
ADORA3 P0DMS8 1/20 0.52
PIM1 P11309 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
FLT3 P36888 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIM3 Q86V86 1/20 0.52
AURKB Q96GD4 1/20 0.52
TSHR P16473 1/20 0.50
NTRK1 P04629 1/20 0.50
DYRK1A Q13627 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
SCHEMBL5341105 0.89 CDK5 (0.81) CDK5CDK5R1LMNACCNA2CDK2
SCHEMBL5345431 0.88 CDK5 (0.78) CDK5CDK5R1LMNANPC1CCNA2
SCHEMBL5342305 0.87 CDK5 (0.77) CDK5CDK5R1LMNANPC1CCNA2
SCHEMBL31061165 0.85 CDK5 (1.00) CDK5CDK5R1LMNANPC1CCNA2
SCHEMBL5338684 0.85 CDK5 (0.74) CDK5CDK5R1LMNANPC1CCNA2
SCHEMBL5691646 0.84 CDK5 (0.73) CDK5CDK5R1LMNANPC1CCNA2
SCHEMBL5338589 0.84 CDK5 (0.72) CDK5CDK5R1NPC1CCNA2CDK2
SCHEMBL14558342 0.83 CDK5 (0.71) CDK5CDK5R1LMNANPC1RAB9A
SCHEMBL14569530 0.83 CDK5 (0.70) CDK5CDK5R1LMNACCNA2CDK2
SCHEMBL5345136 0.82 CDK5 (0.80) CDK5CDK5R1LMNANPC1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP claimed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO 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-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP 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 359/4885LMNA 2067/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 40/4885CDK5R1 244/4885LMNA 1241/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885LMNA 2067/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885LMNA 2067/4885

“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.