SCHEMBL226477

SCHEMBL226477

Cc1cccc(Nc2ccccn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.57
ALPL P05186 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
NFKB1 P19838 1/20 0.57
PPP1CA P62136 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
GRM5 P41594 10/20 0.57
ASIC3 Q9UHC3 2/20 0.55
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL4897079 0.86 KMT2A (0.64) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL1950236 0.86 KMT2A (0.64) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL229747 0.85 RAB9A (0.59) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2822611 0.83 KMT2A (0.50) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL3957843 0.82 GRM5 (0.58) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL845239 0.82 ALDH1A1 (0.49) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL221242 0.81 KMT2A (0.76) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL29391624 0.81 KMT2A (0.76) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL27625398 0.80 TGFBR1 (0.53) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL20919346 0.80 KMT2A (0.57) KMT2AMEN1NPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
EP-2082005-B9 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2013-05-22 EP disclosed
US-8431045-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2013-04-30 US disclosed
US-20120292581-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME PLEOTINT, LLC (US) 2012-11-22 US disclosed
EP-2082005-B1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2012-08-01 EP disclosed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US disclosed
EP-2436750-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-04-04 EP disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed
US-20120001134-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2012-01-05 US disclosed
US-20080105851-A1 Exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed; comprising a transition metal ion and a ligand PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080100903-A1 MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
CN-1845915-A Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2006-10-11 CN disclosed
EP-1664018-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-06-07 EP disclosed
US-20060058178-A1 Aromatic compounds containing nitrogen and p- functionalized amines, the production thereof and their use in catalytic reactions DEGUSSA AG (DE) 2006-03-16 US disclosed
EP-1446224-B1 AROMATIC COMPOUNDS CONTAINING NITROGEN AND P-FUNCTIONALIZED AMINES, THE PRODUCTION THEREOF AND THEIR USE IN CATALYTIC REACTIONS DEGUSSA (DE) 2006-01-25 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO 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 (2 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-20060058178-A1 Aromatic compounds containing nitrogen and p- functionalized amines, the production thereof and their use in catalytic reactions PAH, PNMT, TYR KMT2A 943/4885MEN1 3253/4885NPC1 2695/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 KMT2A 721/4885MEN1 4674/4885NPC1 3553/4885

“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.