Sugi Predict

Sugi Predict / Compounds / SCHEMBL249089

SCHEMBL249089

SCHEMBL249089

COc1ccc(-c2c[c]ncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ ESR2 Q92731 1/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ SCN4A P35499 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL4907036 0.78 LMNA (0.35) MAPT
SCHEMBL294190 0.77 — —
SCHEMBL9480880 0.77 LTA4H (0.47) KDM4ECLK4CA12CA1CA2
SCHEMBL28327229 0.77 NISCH (0.44) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL28749658 0.77 DRD1 (0.46) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL4094356 0.74 KDM4E (0.71) DYRK1AKDM4EUSP2CLK4ESR2
SCHEMBL16033234 0.74 MAPT (0.55) KDM4ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL29733664 0.74 KDM4E (0.71) DYRK1AKDM4EUSP2CLK4ESR2
SCHEMBL28749616 0.74 CYP3A4 (0.31) —
SCHEMBL22347257 0.74 SCN5A (0.33) ALDH1A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1163605-A Novel amino acid derivatives with improved multidrug resistance activity VERTEX PHARMA (US) 1997-10-29 — — CN claimed
US-11925690-B2 Bifunctional molecules for targeting Rpn11 AMPHISTA THERAPEUTICS LIMITED (GB) 2024-03-12 — — US disclosed
US-20210283139-A1 BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 AMPHISTA THERAPEUTICS LIMITED (GB) 2021-09-16 — — US disclosed
US-11005108-B2 Molecularly tunable heterogeneous catalysts by edge functionalization of graphitic carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-05-11 — — US disclosed
EP-3807263-A1 BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 Amphista Therapeutics Ltd (GB) 2021-04-21 — — EP disclosed
EP-3807272-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 Amphista Therapeutics Ltd (GB) 2021-04-21 — — EP disclosed
WO-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 — — WO disclosed
WO-2019238886-A1 BIFUNCTIONAL MOLECULES FOR TARGETING USP14 UNIVERSITY OF DUNDEE (GB) 2019-12-19 — — WO disclosed
WO-2019238816-A1 BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 UNIVERSITY OF DUNDEE (GB) 2019-12-19 — — WO disclosed
EP-2584899-B1 NIACIN MIMETICS, AND USE THEREOF TUFTS COLLEGE (US) 2018-01-10 — — EP disclosed
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 — — US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 — — WO disclosed
WO-2012075500-A2 7-DEAZAPURINE MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 — — US disclosed
US-20120077807-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 — — US disclosed
WO-2012003281-A2 SMALL-MOLECULE-TARGETED PROTEIN DEGRADATION BRANDEIS UNIVERSITY (US) 2012-01-05 — — WO disclosed
WO-2011163619-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2011-12-29 — — WO disclosed
WO-2011163612-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2011-12-29 — — WO disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 — — WO disclosed
CN-101573341-A Imidazolidinone Kv1.5 potassium channel inhibitors WYETH CORP (US) 2009-11-04 — — CN 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 (6 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-20210283139-A1 BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 UCHL5, UCHL3, UCHL1 DYRK1A 530/4885KDM4E 1032/4885USP2 18/4885
US-11005108-B2 Molecularly tunable heterogeneous catalysts by edge functionalization of graphitic carbons APEX1, SCO2, EHMT2 DYRK1A 861/4885KDM4E 959/4885USP2 3535/4885
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof CD274, PDCD1LG2, PDCD1 DYRK1A 2249/4885KDM4E 3657/4885USP2 4060/4885
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NADK, NAPRT DYRK1A 2900/4885KDM4E 4511/4885USP2 4513/4885
US-11925690-B2 Bifunctional molecules for targeting Rpn11 RPN1, RPP30, UBQLN1 DYRK1A 2572/4885KDM4E 4423/4885USP2 665/4885
US-20120077807-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF NAMPT, NNT, NAPRT DYRK1A 4329/4885KDM4E 3805/4885USP2 4493/4885

“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.