SCHEMBL381384

SCHEMBL381384

c1ccc2c(-c3cc[nH]c3)n[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.63
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 2/20 0.63
TTK P33981 2/20 0.63
ALPL P05186 1/20 0.63
HPGD P15428 1/20 0.63
MAPK10 P53779 1/20 0.63
LRRK2 Q5S007 2/20 0.53
AURKA O14965 1/20 0.51
MAP2K4 P45985 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
ITK Q08881 3/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
PDPK1 O15530 1/20 0.47
CYP3A4 P08684 1/20 0.47
GRM4 Q14833 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) IDO1KDM4EALDH1A1GAATTK
SCHEMBL855531 0.78 ALDH1A1 (1.00) IDO1KDM4EALDH1A1GAATTK
SCHEMBL30768403 0.78 ALDH1A1 (1.00) IDO1KDM4EALDH1A1GAATTK
SCHEMBL17178615 0.75 ALDH1A1 (0.92) IDO1KDM4EALDH1A1GAATTK
SCHEMBL10533662 0.73 IDO1 (0.74) IDO1KDM4EALDH1A1GAATTK
SCHEMBL4480025 0.72 ALDH1A1 (0.71) IDO1KDM4EALDH1A1GAATTK
SCHEMBL5377572 0.72 ALDH1A1 (0.71) IDO1KDM4EALDH1A1GAATTK
SCHEMBL12318475 0.72 KDM4E (0.71) IDO1KDM4EALDH1A1GAATTK
SCHEMBL16937122 0.72 IDO1 (0.71) IDO1KDM4EALDH1A1GAATTK
SCHEMBL4200287 0.72 IDO1 (0.71) IDO1KDM4EALDH1A1GAATTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2235011-B1 SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS Bayer Pharma AG (DE) 2012-01-25 EP disclosed
US-7998688-B2 Inhibition of EMT induction in tumor cells by anti-cancer agents OSI Pharmaceuticals, LLC (US) 2011-08-16 US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 US disclosed
EP-2235011-A1 SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
US-20090286850-A1 Inhibition of EMT induction in tumor cells by anti-cancer agents SHAABAN SALAM A 2009-11-19 US disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO 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 (3 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 IDO1 1267/4885KDM4E 1574/4885ALDH1A1 3022/4885
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO IDO1 2484/4885KDM4E 2518/4885ALDH1A1 1705/4885
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 1805/4885ALDH1A1 1474/4885

“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.