SCHEMBL15760960

SCHEMBL15760960

Cc1cc(C(=O)NC2CCNCC2)ncc1C#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 9/20 0.46
▸ LRRK2 Q5S007 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ KDM1A O60341 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ AXL P30530 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ KCNJ1 P48048 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
Hydrochloric Acid SCHEMBL15757869 0.99 SMYD3 (0.47) SMYD3LRRK2HPGDSKDM1AUSP30
SCHEMBL19457714 0.86 KCNJ1 (0.49) SMYD3LRRK2HPGDSKDM1AFLT3
SCHEMBL19473751 0.84 KCNJ1 (0.52) SMYD3HPGDSKDM1AUSP30AXL
SCHEMBL19473758 0.81 SMYD3 (0.42) SMYD3HPGDSKDM1AAXLFLT3
SCHEMBL19473772 0.80 KCNJ1 (0.41) SMYD3HPGDSKDM1AAXLFLT3
Trifluoroacetic Acid SCHEMBL19457877 0.78 KCNJ1 (0.48) SMYD3HPGDSKDM1AFLT3KCNJ1
SCHEMBL19661275 0.78 HTR4 (0.51) SMYD3HPGDS
SCHEMBL19661273 0.77 PRKAA2 (0.52) SMYD3EGLN1
Trifluoroacetic Acid SCHEMBL19457704 0.76 CDK4 (0.39) SMYD3HPGDSKDM1AAXLFLT3
SCHEMBL2955264 0.76 SMYD3 (0.52) SMYD3HPGDSKDM1AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777002-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-9777002-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — US disclosed
US-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — US disclosed
WO-2014085210-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-05 — — 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 (1 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-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 SMYD3 3557/4885LRRK2 1639/4885HPGDS 2948/4885

“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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