Sugi Predict

Sugi Predict / Compounds / SCHEMBL5983583

SCHEMBL5983583

SCHEMBL5983583

CC(C)Cc1ccnc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.40
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL17000212 0.82 GABRA1 (0.37) CTSSCTSKGABRA1GABRB2KDM4E
SCHEMBL30640985 0.79 NOS3 (0.52) AAK1CTSSCTSKMYCHPGD
SCHEMBL3302943 0.79 NOS3 (0.52) AAK1CTSSCTSKMYCHPGD
SCHEMBL2953301 0.77 SMN1; SMN2 (0.41) MYCKDM4EALDH1A1HPGDTSHR
SCHEMBL2547947 0.76 CTSK (0.40) AAK1CTSSCTSKMYCKDM4E
SCHEMBL6244474 0.76 LOXL2 (0.46) AAK1MYCKDM4EXDHABCG2
SCHEMBL454924 0.76 RECQL (0.52) MYCXDHABCG2PRMT5WDR77
SCHEMBL2642690 0.76 LOXL2 (0.52) MYCXDHABCG2
SCHEMBL451725 0.76 MYC (0.39) GABRA1GABRB2MYCXDHABCG2
SCHEMBL2642689 0.76 MYC (0.39) AAK1CTSKGABRA1GABRB2MYC

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 — — US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 — — EP disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — US disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 — — WO disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 — — WO disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
EP-3433253-B1 PYRIMIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2020-02-12 — — EP disclosed
WO-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 — — WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 — — WO disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 — — EP disclosed
EP-1529052-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-05-11 — — EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 — — WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 — — US disclosed
US-20040116690-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-06-17 — — US disclosed
WO-2004016632-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-02-26 — — 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 (5 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN AAK1 3194/4885CTSS 1290/4885CTSK 783/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP AAK1 3291/4885CTSS 4360/4885CTSK 3692/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP AAK1 3291/4885CTSS 4360/4885CTSK 3692/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 AAK1 587/4885CTSS 3324/4885CTSK 3095/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP AAK1 3291/4885CTSS 4360/4885CTSK 3692/4885

“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.