SCHEMBL1126841

SCHEMBL1126841

CCN(CC)Cc1ccc(N)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
ACHE P22303 2/20 0.44
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
RECQL P46063 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PSMD14 O00487 1/20 0.36
CYP3A4 P08684 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LIN28A Q9H9Z2 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL529043 0.80 LTA4H (0.37) TSHRTDP1ALDH1A1MAPK1HRH3
SCHEMBL14217245 0.79 CHRNB2 (0.36) TSHRTDP1ALDH1A1MAPK1RECQL
SCHEMBL14174793 0.78 CCR1 (0.41) TDP1ALDH1A1HRH3MAPTSMN1; SMN2
SCHEMBL747715 0.77
SCHEMBL9908275 0.77 HRH3 (0.46) ALDH1A1MAPK1HRH3L3MBTL1MAPT
SCHEMBL24337025 0.77 DHFR (0.39) TSHRTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL12700747 0.74 TRPV1 (0.36) TDP1HRH3MAPTSMN1; SMN2LIN28A
SCHEMBL8199541 0.74 KDM4E (0.39) TSHRTDP1ALDH1A1HRH3CYP3A4
SCHEMBL14212789 0.73 KMT2A (0.41) TSHRALDH1A1HRH3MAPTCA12
SCHEMBL2793295 0.72 GBA1 (0.60) TSHRTDP1ALDH1A1MAPK1RECQL

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-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
CN-102036963-B Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2013-08-21 CN disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
CN-102036963-A Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2011-04-27 CN disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 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 (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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 PRKCI 460/4885ACHE 1756/4885TSHR 3227/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PRKCI 256/4885ACHE 2488/4885TSHR 3218/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PRKCI 256/4885ACHE 2488/4885TSHR 3218/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PRKCI 256/4885ACHE 2488/4885TSHR 3218/4885

“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.