SCHEMBL5855644

SCHEMBL5855644

Cn1nnc(-c2ccccc2CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
F2 P00734 1/20 0.44
NAMPT P43490 3/20 0.42
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
KDM4A O75164 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 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
SCHEMBL24352757 0.80 KCNA5 (0.55) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL5854962 0.79 KCNA5 (0.49) KCNA5F2NAMPTHDAC10HDAC6
SCHEMBL8018113 0.76 KCNA5 (0.56) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL30159605 0.76 KCNA5 (0.56) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL8254926 0.76 KCNA5 (0.61) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL12305689 0.75 KCNA5 (0.60) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL31048537 0.74 KCNA5 (0.49) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL3750932 0.74 KCNA5 (0.54) KCNA5KDM4AMALT1
SCHEMBL24352771 0.74 KCNA5 (0.51) KCNA5NAMPTHDAC10HDAC6KDM4A
SCHEMBL29473247 0.74 KCNA5 (0.51) KCNA5NAMPTHDAC10HDAC6KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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 (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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 KCNA5 1858/4885F2 2/4885NAMPT 3481/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI KCNA5 2592/4885F2 1/4885NAMPT 1710/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 KCNA5 1803/4885F2 1/4885NAMPT 2319/4885

“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.