SCHEMBL3222006

SCHEMBL3222006

CN(C)CCNc1cccc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
CYP2C19 P33261 1/20 0.56
NCF1 P14598 2/20 0.49
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
DNM2 P50570 2/20 0.43
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
TOP2A P11388 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PIM1 P11309 1/20 0.39
NOS3 P29474 1/20 0.39
TERT O14746 1/20 0.39

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
SCHEMBL6027125 0.81 CYP2C19 (0.57) HRH3CYP2C19NCF1DNM2
SCHEMBL11456527 0.79 CYP2C19 (0.56) HRH3CYP2C19NCF1NOS1NOS2
SCHEMBL11447765 0.79 CYP2C19 (0.56) HRH3CYP2C19NCF1DNM2IRAK4
SCHEMBL11446725 0.79 CYP2C19 (0.56) HRH3CYP2C19NCF1DNM2IRAK4
SCHEMBL16790977 0.78 HRH3 (0.43) HRH3NOS1NOS2XIAPBIRC2
SCHEMBL13403447 0.77 MEN1 (0.51) XIAPBIRC2ALDH1A1
SCHEMBL8396192 0.77 TLR8 (0.58) HRH3XIAPBIRC2ALDH1A1
SCHEMBL11456718 0.77 CYP2C19 (0.53) HRH3CYP2C19NCF1DNM2IRAK4
SCHEMBL11185939 0.77 CYP2C19 (0.53) HRH3CYP2C19DNM2IRAK4PIM1
SCHEMBL22011153 0.77 HRH4 (0.40) HRH3NOS2XIAPBIRC2IRAK4

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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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
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
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
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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 (5 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 HRH3 4815/4885CYP2C19 1086/4885NCF1 4191/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885CYP2C19 1334/4885NCF1 2374/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 2734/4885CYP2C19 1328/4885NCF1 1332/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 HRH3 4823/4885CYP2C19 334/4885NCF1 4228/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885CYP2C19 1334/4885NCF1 2374/4885

“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.