SCHEMBL994454

SCHEMBL994454

Nc1ccc(-n2ccnc2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.62
CYP3A4 P08684 5/20 0.62
CYP2D6 P10635 5/20 0.62
CYP2C19 P33261 5/20 0.62
LMNA P02545 4/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP2C9 P11712 2/20 0.62
MEN1 O00255 1/20 0.62
MAPK1 P28482 1/20 0.62
PMP22 Q01453 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
IDO1 P14902 3/20 0.45
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CLK4 Q9HAZ1 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL27650628 0.81 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL12017706 0.81 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL251863 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL19036229 0.80 LMNA (0.58) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL1354709 0.79 LMNA (0.53) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL10915573 0.78 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL1237285 0.78 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL252117 0.78 CYP3A4 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL12015798 0.78 ALDH1A1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL10232920 0.78 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971176-A1 AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE Hinova Pharmaceuticals Inc. (CN) 2022-03-23 EP disclosed
US-8431592-B2 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2013-04-30 US disclosed
EP-2270008-B1 8-heteroaryl-3-alkyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as PI-3 kinases inhibitors NOVARTIS AG (CH) 2012-10-03 EP disclosed
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2292617-B1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinase inhibitors NOVARTIS AG (CH) 2012-07-11 EP disclosed
EP-1888578-B9 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2012-04-25 EP disclosed
EP-1888578-B1 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2011-11-30 EP disclosed
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors NOVARTIS AG (CH) 2011-10-13 US disclosed
EP-2368889-A1 Inhibitors of tyrosine kinases Novartis AG (CH) 2011-09-28 EP disclosed
US-20110218187-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2011-09-08 US disclosed
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2008-08-07 US disclosed
EP-1888578-A2 IMIDAZOQUINOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
CN-101045727-A Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-10-03 CN disclosed
CN-1324022-C Tyrosine kinase inhibitors NOVARTIS AG (CH) 2007-07-04 CN disclosed
US-20070093506-A1 Inhibitors of tyrosine kinases BREITENSTEIN WERNER 2007-04-26 US disclosed
US-7169791-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-01-30 US disclosed
WO-2006122806-A2 1,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2006-11-23 WO disclosed
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) NOVARTIS AG (CH) 2006-07-27 US disclosed
CN-1675195-A Tyrosine kinase inhibitors NOVARTIS AG (CH) 2005-09-28 CN disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 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 (7 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-20070093506-A1 Inhibitors of tyrosine kinases ABL1, BTK, FLT3 CYP1A2 1360/4885CYP3A4 1492/4885CYP2D6 1295/4885
US-20110218187-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 CYP1A2 1360/4885CYP3A4 1492/4885CYP2D6 1295/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB CYP1A2 1309/4885CYP3A4 1739/4885CYP2D6 2777/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYP1A2 4207/4885CYP3A4 4586/4885CYP2D6 4563/4885
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A CYP1A2 677/4885CYP3A4 1439/4885CYP2D6 1705/4885
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 CYP1A2 1360/4885CYP3A4 1492/4885CYP2D6 1295/4885
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) ABL1, CDK2, CDKN1A CYP1A2 1531/4885CYP3A4 1455/4885CYP2D6 2417/4885

“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.