Sugi Predict

Sugi Predict / Compounds / SCHEMBL827713

SCHEMBL827713

SCHEMBL827713

Cc1cnc2ccoc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CCR1 P32246 4/20 0.39
▸ CCR5 P51681 4/20 0.39
▸ CCR8 P51685 4/20 0.39
▸ NOS3 P29474 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ UHRF1 Q96T88 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ COPS5 Q92905 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ KCNC1 P48547 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL31168473 1.00 CYP1A2 (0.44) CYP1A2CCR1CCR5CCR8NOS3
SCHEMBL10855251 0.79 NOS3 (0.36) NOS3NOS2NOS1IRAK4KDM4E
SCHEMBL19119590 0.76 KLKB1 (0.41) CYP1A2CCR1CCR5CCR8KDM4E
SCHEMBL13459982 0.75 DYRK1A (0.40) IRAK4DYRK1AKDM4EMAPTKMT2A
SCHEMBL1269987 0.75 FTO (0.40) IRAK4DYRK1AKDM4EMAPTLMNA
SCHEMBL457106 0.75 DYRK1A (0.38) IRAK4DYRK1AMAPTKMT2AALDH1A1
SCHEMBL31168602 0.75 TRPA1 (0.34) IRAK4DYRK1A
SCHEMBL19251497 0.75 HDAC6 (0.33) HDAC6IRAK4DYRK1AKDM4EMAPT
SCHEMBL12814747 0.75 KDM4E (0.45) CCR1CCR5CCR8NOS3NOS2
SCHEMBL12458419 0.75 IRAK4 (0.32) IRAK4DYRK1AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024216164-A1 N2-((5-HYDROXY)-2-PYRIDYL)-PYRIDINE-2,4-DIAMINE DERIVATIVES AS EHMT1/2 MODULATORS FOR THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2024-10-17 — — WO disclosed
US-11702388-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2023-07-18 — — US disclosed
US-11702388-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2023-07-18 — — US disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 — — WO disclosed
US-20210230116-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2021-07-29 — — US disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
WO-2021113690-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
US-10919875-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivatives 89BIO LTD (IL) 2021-02-16 — — US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 — — WO disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 — — US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 — — US disclosed
WO-2010026771-A1 NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDAL AGENT FOR AGRICULTURAL OR HORTICULTURAL APPLICATIONS 日本曹達株式会社 (JP) 2010-03-11 — — WO disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 — — WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 — — US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 — — WO disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — 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 (8 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-20210230116-A1 1,4-Substituted Piperidine Derivatives FASN, CES1, CPT1A CYP1A2 128/4885CCR1 2639/4885CCR5 2780/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CYP1A2 3806/4885CCR1 747/4885CCR5 1178/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CYP1A2 189/4885CCR1 4012/4885CCR5 3783/4885
US-10919875-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivatives FASN, CES1, FADS2 CYP1A2 90/4885CCR1 3756/4885CCR5 3512/4885
US-11702388-B2 1,4-substituted piperidine derivatives FASN, CES1, CPT1A CYP1A2 128/4885CCR1 2639/4885CCR5 2780/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CYP1A2 672/4885CCR1 464/4885CCR5 743/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 CYP1A2 438/4885CCR1 1940/4885CCR5 498/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CYP1A2 152/4885CCR1 3788/4885CCR5 3526/4885

“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.