SCHEMBL4452729

SCHEMBL4452729

c1ccc2c(-c3ncco3)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 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
MAPK10 P53779 2/20 0.53
ALPL P05186 1/20 0.53
HPGD P15428 1/20 0.53
TTK P33981 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
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
PDPK1 O15530 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4784703 0.80 AXL (0.48) LRRK2FGFR1AURKAPDPK1MAPK9
SCHEMBL1672674 0.75 IDO1 (0.78) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL4783909 0.74 MAPT (0.61) LRRK2ALDH1A1HPGDCYP3A4NPC1
SCHEMBL1287897 0.73 LRRK2 (0.68) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL3256522 0.72 KDM4E (0.56) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL29771573 0.72 KDM4E (0.56) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL17610247 0.72 IDO1 (0.60) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL15824970 0.71 LRRK2 (0.56) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL2870463 0.71 LRRK2 (0.59) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL19100673 0.71 LRRK2 (0.59) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP disclosed
US-7605266-B2 Azaindole inhibitors of Aurora kinases SMITHKLINE BEECHAM (US) 2009-10-20 US disclosed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 US disclosed
EP-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 EP disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB LRRK2 1707/4885IDO1 636/4885KDM4E 317/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB LRRK2 1707/4885IDO1 636/4885KDM4E 317/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB LRRK2 1707/4885IDO1 636/4885KDM4E 317/4885
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides AURKA, AURKC, AURKB LRRK2 3977/4885IDO1 377/4885KDM4E 95/4885

“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.