Sugi Predict

Sugi Predict / Compounds / SCHEMBL6182403

SCHEMBL6182403

SCHEMBL6182403

CC(C)CCN(C(=O)c1cccc(NC(=O)N2CCN(c3ncccn3)CC2)c1)C(=O)N(C)C#N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PARP14 Q460N5 1/20 0.42
▸ PANK3 Q9H999 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL6183130 0.91 GAA (0.49) GAATSHRMAPTPOLBLMNA
SCHEMBL6182405 0.88 GAA (0.46) GAATSHRMAPTPOLBLMNA
SCHEMBL6186854 0.85 NPC1 (0.48) TSHRKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL6183904 0.80 FAAH (0.47) TSHRMAPTKDM4E
Trifluoroacetic Acid SCHEMBL6181685 0.79 CNR1 (0.37) TSHRLMNAMAPK1KMT2AALDH1A1
SCHEMBL6183132 0.78 GAA (0.48) GAATSHRMAPTPOLBLMNA
SCHEMBL6184516 0.75 KDM4E (0.44) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL6182144 0.75 NAMPT (0.46) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL5521753 0.75 HDAC3 (0.41) MAPTKDM4E
SCHEMBL7486324 0.74 FAAH (0.53) MAPTMAPK1KDM4ENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO claimed
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

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 GAA 331/4885TSHR 4863/4885MAPT 2606/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GAA 331/4885TSHR 4863/4885MAPT 2606/4885

“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.