SCHEMBL4477368

SCHEMBL4477368

O=C(Nc1cc(Oc2cccnc2)cc(-c2ccccn2)c1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
TP53 P04637 1/20 0.52
RECQL P46063 1/20 0.52
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM5 P41594 3/20 0.50
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
ABL1 P00519 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
PDGFRA P16234 1/20 0.48
GALR3 O60755 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4482690 0.91 CYP11B1 (0.54) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4478243 0.83 CYP11B1 (0.60) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4481536 0.81 CYP11B1 (0.69) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4475675 0.80 TSHR (0.59) CYP11B1CYP11B2GRM5SMN1; SMN2
SCHEMBL4472388 0.79 RAB9A (0.66) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4466412 0.79 CYP11B1 (0.56) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4492925 0.78 GRM5 (0.63) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL17104295 0.78 SMN1; SMN2 (0.69) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4482615 0.77 CYP11B1 (0.54) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL4472294 0.76 ALDH1A1 (0.65) CYP11B1CYP11B2RAB9ANPC1TP53

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 14 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 claimed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 US claimed
US-20060173024-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-08-03 US claimed
US-7053094-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-05-30 US claimed
US-20050148638-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2005-07-07 US claimed
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 claimed
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US claimed
EP-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP disclosed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 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
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
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 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 (3 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 CYP11B1 3034/4885CYP11B2 2294/4885RAB9A 2534/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP11B1 3034/4885CYP11B2 2294/4885RAB9A 2534/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP11B1 3034/4885CYP11B2 2294/4885RAB9A 2534/4885

“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.