SCHEMBL4475675

SCHEMBL4475675

O=C(Nc1cc(F)cc(Oc2cccnc2)c1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GRM5 P41594 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.55
HIF1A Q16665 1/20 0.55
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53

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
SCHEMBL4478047 0.90 GRM5 (0.59) TSHRSMN1; SMN2GRM5CYP1A2CYP2C9
SCHEMBL4466412 0.90 CYP11B1 (0.56) SMN1; SMN2GRM5FFAR4LMNACYP11B1
SCHEMBL12412646 0.89 GRM5 (0.77) GRM5KMT2A
SCHEMBL12830278 0.89 GRM5 (0.58) TSHRSMN1; SMN2GRM5CYP1A2CYP2C9
SCHEMBL12412147 0.89 GRM5 (0.61) TSHRSMN1; SMN2GRM5LMNA
SCHEMBL12412157 0.86 GRM5 (0.63) SMN1; SMN2GRM5FFAR4LMNA
SCHEMBL1486159 0.86 GRM5 (0.78) SMN1; SMN2GRM5LMNA
SCHEMBL28777522 0.86 LMNA (0.69) TSHRSMN1; SMN2KMT2ATDP1LMNA
SCHEMBL4478243 0.85 CYP11B1 (0.60) TSHRSMN1; SMN2GRM5LMNACYP11B1
SCHEMBL4276324 0.84 TAAR1 (0.64) CYP1A2KMT2AFFAR4LMNACYP11B1

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 TSHR 4372/4885SMN1; SMN2 633/4885GRM5 2825/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 TSHR 4372/4885SMN1; SMN2 633/4885GRM5 2825/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 TSHR 4372/4885SMN1; SMN2 633/4885GRM5 2825/4885

“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.