SCHEMBL381383

SCHEMBL381383

c1c[nH]c(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
KDM4E B2RXH2 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
ALPL P05186 1/20 0.58
HPGD P15428 1/20 0.58
TTK P33981 1/20 0.58
MAPK10 P53779 1/20 0.58
ITK Q08881 7/20 0.56
LRRK2 Q5S007 2/20 0.50
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
AURKA O14965 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
PDPK1 O15530 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAP2K4 P45985 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46

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
SCHEMBL1672674 0.80 IDO1 (0.78) IDO1KDM4EGAAALDH1A1ALPL
SCHEMBL5516155 0.78 MAPKAPK2 (0.57) ITKAURKAMAPKAPK2MAP2K4HTR2A
SCHEMBL758466 0.78 FLT3 (0.62) IDO1ITKFGFR1MAPKAPK2PDPK1
SCHEMBL29053552 0.77 KDM4E (0.53) IDO1KDM4EGAAALDH1A1ALPL
Hydrochloric Acid SCHEMBL6370902 0.77 AXL (0.54) MAPK10ITKFGFR1AURKAMAPKAPK2
SCHEMBL10214011 0.76 LRRK2 (0.52) LRRK2MAPKAPK2
Hydrochloric Acid SCHEMBL6370465 0.75 MAPK10 (0.68) MAPK10LRRK2AURKAMAPKAPK2PDPK1
SCHEMBL12124010 0.75 FGFR2 (0.48) GAAITKFGFR1MAPKAPK2PDPK1
SCHEMBL3709693 0.75 TTK (0.58) TTKMAPK10ITKFGFR1MAPKAPK2
SCHEMBL5510153 0.75 MKNK1 (0.67) TTKLRRK2MAPKAPK2PDPK1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101440092-B 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG 2010-11-17 CN claimed
CN-101440092-A 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG (CN) 2009-05-27 CN claimed
EP-3118189-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA Phenex Pharmaceuticals AG (DE) 2017-01-18 EP disclosed
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
EP-2882710-B1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2016-09-07 EP disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 US disclosed
EP-2882710-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA Phenex Pharmaceuticals AG (DE) 2015-06-17 EP disclosed
CN-104603105-A Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor ROR Gamma PHENEX PHARMACEUTICALS AG 2015-05-06 CN disclosed
WO-2014023367-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2014-02-13 WO disclosed
US-8609686-B2 Substituted azabicyclic compounds and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP 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
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB IDO1 636/4885KDM4E 317/4885GAA 2278/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB IDO1 636/4885KDM4E 317/4885GAA 2278/4885
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 IDO1 1267/4885KDM4E 1574/4885GAA 3935/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC IDO1 1603/4885KDM4E 1805/4885GAA 3469/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB IDO1 636/4885KDM4E 317/4885GAA 2278/4885

“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.