SCHEMBL13718453

SCHEMBL13718453

CCC(=O)Nc1nc2ccc(C#N)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.74
▸ RAB9A P51151 10/20 0.64
▸ KMT2A Q03164 3/20 0.61
▸ GSK3B P49841 1/20 0.59
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ NPC1 O15118 7/20 0.54
▸ PIK3CG P48736 1/20 0.53
▸ TP53 P04637 2/20 0.52
▸ CSNK1D P48730 1/20 0.52
▸ CSNK1G2 P78368 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ACP1 P24666 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ CASP2 P42575 1/20 0.50

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
SCHEMBL21568692 0.85 DYRK1A (1.00) DYRK1ARAB9AGSK3BSMN1; SMN2NPC1
SCHEMBL6068126 0.85 DYRK1A (0.71) DYRK1ARAB9AGSK3BSMN1; SMN2NPC1
SCHEMBL6067966 0.83 DYRK1A (0.76) DYRK1ARAB9AGSK3BSMN1; SMN2NPC1
SCHEMBL14189669 0.81 RAB9A (0.74) DYRK1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL23256894 0.80 DYRK1A (0.64) DYRK1ARAB9AKMT2AGSK3BSMN1; SMN2
SCHEMBL22208373 0.80 RAB9A (0.72) DYRK1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL17776540 0.80 PDPK1 (0.72) DYRK1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL21568049 0.80 DYRK1A (0.76) DYRK1ARAB9AGSK3BSMN1; SMN2NPC1
SCHEMBL9893074 0.80 DYRK1A (0.72) DYRK1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL21568125 0.79 DYRK1A (0.62) DYRK1ARAB9AKMT2AGSK3BSMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 — — US disclosed
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 — — US disclosed
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 — — US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 — — US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 — — US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 — — US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 — — US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 — — US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 — — US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 — — US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 — — US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 — — US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 — — US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 — — US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 — — 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 (4 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-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX DYRK1A 4090/4885RAB9A 656/4885KMT2A 2426/4885
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX DYRK1A 4090/4885RAB9A 656/4885KMT2A 2426/4885
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1S DYRK1A 4076/4885RAB9A 858/4885KMT2A 2504/4885
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX DYRK1A 4090/4885RAB9A 656/4885KMT2A 2426/4885

“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.

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