SCHEMBL4169682

SCHEMBL4169682

CCN(CC)C(=O)c1ccnc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.56
GABRD O14764 2/20 0.56
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRE P78334 2/20 0.56
GABRA6 Q16445 2/20 0.56
GABRG1 Q8N1C3 2/20 0.56
GABRG3 Q99928 2/20 0.56
GABRQ Q9UN88 2/20 0.56
HPGD P15428 8/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL12677925 0.81 HPGD (0.56) HPGDALDH1A1MAPTL3MBTL1TDP1
SCHEMBL5808527 0.81 ALDH1A1 (0.69) HPGDALDH1A1MAPTL3MBTL1TDP1
SCHEMBL3198541 0.81 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9321390 0.80 ALDH1A1 (0.58) HPGDALDH1A1MAPTL3MBTL1TDP1
SCHEMBL1210289 0.80 HPGD (0.50) HPGDALDH1A1MAPTL3MBTL1TDP1
SCHEMBL10468344 0.80 HPGD (0.55) HPGDALDH1A1MAPTL3MBTL1TDP1
SCHEMBL5532735 0.78 KDM5B (0.58) HPGDALDH1A1TDP1KDM5AKDM5C
SCHEMBL10820378 0.77 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL305494 0.75 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11728591 0.75 HPGD (0.48) HPGDALDH1A1MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 EP 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 (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 GABRP 4466/4885GABRD 4664/4885GABRA1 4632/4885
US-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 GABRP 1105/4885GABRD 524/4885GABRA1 717/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX GABRP 4466/4885GABRD 4664/4885GABRA1 4632/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX GABRP 4466/4885GABRD 4664/4885GABRA1 4632/4885

“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.