Sugi Predict

Sugi Predict / Compounds / SCHEMBL6183716

SCHEMBL6183716

SCHEMBL6183716

CC(CCNC(=O)c1ccnc(N(C)C)c1)CC(=O)NCC#N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ PROKR1 Q8TCW9 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ KDM5A P29375 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WNT1 P04628 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ KDM5C P41229 1/20 0.33

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
SCHEMBL7554411 0.82 EPHX2 (0.50) SMN1; SMN2EPHX2
SCHEMBL7449982 0.81 POLB (0.47) KDM4ELMNASMN1; SMN2EPHX2
SCHEMBL7452250 0.80 HDAC1 (0.49) HTTKDM4ESMN1; SMN2
SCHEMBL6182955 0.80 HDAC3 (0.47) MAPK14PROKR1MAPK8PRMT5DYRK1A
SCHEMBL7046219 0.79 DRD4 (0.43) MAPK14CSNK1EPRMT5WNT1DYRK1A
SCHEMBL6183129 0.79 LRRK2 (0.43) SMN1; SMN2
SCHEMBL6181973 0.78 PIK3CA (0.47) MAPK14MAPK8PRMT5
SCHEMBL6185799 0.78 PLK1 (0.50) HTTLMNASMN1; SMN2
SCHEMBL7551492 0.76 SMN1; SMN2 (0.41) HTTKDM4ELMNASMN1; SMN2EPHX2
SCHEMBL6182813 0.75 MAP3K5 (0.43) MAPK14HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAPK14 2638/4885PROKR1 3340/4885HTT 3328/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAPK14 2638/4885PROKR1 3340/4885HTT 3328/4885

“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.