SCHEMBL1928520

SCHEMBL1928520

Nc1cccc(OCCn2ccnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.68
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
NOS1 P29475 1/20 0.60
HMOX2 P30519 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL1927388 0.93 KMT2A (0.71) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL3581172 0.83 ALDH1A1 (0.85) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL12382 0.83 KMT2A (0.87) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL9451380 0.83 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL76839 0.82 KDM4E (0.72) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL10370478 0.82 TBXAS1 (1.00) TBXAS1ALDH1A1KDM4EKMT2ANOS1
Hydrochloric Acid SCHEMBL9996050 0.80 TBXAS1 (0.97) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL7468628 0.80 TBXAS1 (0.80) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL25344191 0.80 TBXAS1 (0.64) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL11977009 0.80 TBXAS1 (0.63) TBXAS1ALDH1A1KDM4EKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2357182-A1 Inhibitors of tyrosine kinases Novartis AG (CH) 2011-08-17 EP disclosed
US-7956053-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2011-06-07 US disclosed
US-20090286821-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2009-11-19 US disclosed
EP-2100891-A1 Inhibitors of tyrosine kinases Novartis AG (CH) 2009-09-16 EP disclosed
US-7569566-B2 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) 2009-08-04 US disclosed
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2008-08-07 US 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
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
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 WO disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP 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-20070093506-A1 Inhibitors of tyrosine kinases ABL1, BTK, FLT3 TBXAS1 1173/4885ALDH1A1 3475/4885KDM4E 519/4885
US-20110218187-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 TBXAS1 1173/4885ALDH1A1 3475/4885KDM4E 519/4885
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 TBXAS1 1173/4885ALDH1A1 3475/4885KDM4E 519/4885
US-20090286821-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 TBXAS1 1173/4885ALDH1A1 3475/4885KDM4E 519/4885
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 TBXAS1 1176/4885ALDH1A1 2503/4885KDM4E 445/4885

“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.