SCHEMBL5388742

SCHEMBL5388742

c1ccc2c(-c3nccs3)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.54
IDO1 P14902 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALPL P05186 1/20 0.53
HPGD P15428 1/20 0.53
TTK P33981 1/20 0.53
MAPK10 P53779 1/20 0.53
CDC7 O00311 1/20 0.53
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
PDPK1 O15530 2/20 0.46
AKT1 P31749 1/20 0.45
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
AURKA O14965 1/20 0.44
ITK Q08881 1/20 0.44
MAP2K4 P45985 2/20 0.43
METAP1 P53582 1/20 0.43

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
Quinoline SCHEMBL27955778 0.88 LRRK2 (0.47) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL4290310 0.80 FLT3 (0.56) LRRK2TTKCDC7ADORA2AADORA1
SCHEMBL12500458 0.79 GRM4 (0.55) KDM4ETTKCDC7ADORA2AADORA1
SCHEMBL1639572 0.79 ADORA1 (0.50) LRRK2CDC7ADORA2AADORA1PDPK1
SCHEMBL1672674 0.75 IDO1 (0.78) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL2891171 0.75 ADORA2A (0.53) CDC7ADORA2AADORA1METAP1
SCHEMBL3705844 0.75 TTK (0.55) TTKCDC7ADORA2AADORA1PDPK1
SCHEMBL30485716 0.75 IDO1 (0.55) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL1287897 0.73 LRRK2 (0.68) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL27756320 0.72 KDM4E (0.56) LRRK2IDO1KDM4EGAAALDH1A1

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
CN-101389324-A Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2009-03-18 CN disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 EP disclosed
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B LRRK2 2922/4885IDO1 651/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B LRRK2 2922/4885IDO1 651/4885KDM4E 2869/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX LRRK2 3439/4885IDO1 1904/4885KDM4E 2714/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX LRRK2 3439/4885IDO1 1904/4885KDM4E 2714/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX LRRK2 3439/4885IDO1 1904/4885KDM4E 2714/4885

“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.