SCHEMBL2029658

SCHEMBL2029658

N#Cc1cc(N)cc(Oc2cccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.63
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
GRM5 P41594 4/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL4394280 0.83 LMNA (0.65) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2196501 0.81 CYP19A1 (0.71) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2179128 0.81 GRM5 (0.40) CYP19A1ALDH1A1GRM5HTTMEN1
SCHEMBL12562322 0.81 CYP19A1 (0.71) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL22061921 0.79 LMNA (0.87) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2026607 0.78 CYP19A1 (0.40) CYP19A1ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL4465817 0.78 CYP19A1 (0.57) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2023479 0.78 CYP19A1 (1.00) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL31528097 0.78 CYP19A1 (1.00) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL1720331 0.77 ALDH1A1 (0.59) CYP19A1ALDH1A1LMNATDP1SMN1; SMN2

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-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP disclosed
EP-2073811-B1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS LLC (US) 2015-03-11 EP disclosed
US-8586565-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2013-11-19 US disclosed
WO-2013036232-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-14 WO disclosed
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-09-06 US disclosed
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-06-09 US disclosed
US-7790756-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2010-09-07 US disclosed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 US disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
US-20060173024-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-08-03 US disclosed
US-7053094-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-05-30 US disclosed
EP-1503986-A4 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2005-11-30 EP disclosed
US-20050148638-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2005-07-07 US disclosed
US-6908923-B2 N-(3-oxy-5-functionalphenyl)(hetero)arylcarboxamide derivatives, e.g., 4-fluoro-N-(3-(pyridin-3-yloxy)-phenyl)-benzamide CYTOKINETICS, INC. (US) 2005-06-21 US disclosed
EP-1503986-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US disclosed
WO-2003059258-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 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 (6 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-20030158233-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP19A1 4885/4885ALDH1A1 3435/4885LMNA 228/4885
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 CYP19A1 3631/4885ALDH1A1 2528/4885LMNA 1753/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 CYP19A1 1957/4885ALDH1A1 3467/4885LMNA 1485/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP19A1 4885/4885ALDH1A1 3435/4885LMNA 228/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 CYP19A1 1957/4885ALDH1A1 3467/4885LMNA 1485/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP19A1 4885/4885ALDH1A1 3435/4885LMNA 228/4885

“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.