Sugi Predict

Sugi Predict / Compounds / SCHEMBL2040684

SCHEMBL2040684

SCHEMBL2040684

c1cnn(C2CCCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.38
▸ HTR2B P41595 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ HTR6 P50406 6/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 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
SCHEMBL20268998 1.00 HCAR2 (0.38) HCAR2HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL20297398 0.98 HCAR2 (0.37) HCAR2HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL20270451 0.98 HCAR2 (0.37) HCAR2HTR2BHTR3EHTR3BHTR3A
SCHEMBL2731895 0.95 HTR6 (0.38) HCAR2HTR2BHTR3EHTR3BHTR3A
SCHEMBL16975378 0.89 HCAR2 (0.36) HCAR2HTR2BHTR2AHTR2CELOVL1
SCHEMBL28666857 0.89 HCAR2 (0.36) HCAR2HTR2BHTR2AHTR2CELOVL1
SCHEMBL16364698 0.89 HCAR2 (0.36) HCAR2HTR2BHTR2AHTR2CELOVL1
Hydrochloric Acid SCHEMBL18426762 0.87 HCAR2 (0.35) HCAR2HTR2BHTR2AHTR2CELOVL1
Hydrochloric Acid SCHEMBL21840086 0.87 HCAR2 (0.35) HCAR2HTR2BHTR2AHTR2CELOVL1
Pivalate SCHEMBL28290783 0.86 HCAR2 (0.41) HCAR2HTR6JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362939-A1 BIFUNCTIONAL COMPOUNDS THAT DEGRADE ALK AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-05-08 — — EP disclosed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 — — EP disclosed
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 — — EP disclosed
WO-2023071973-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX, INC. (CN) 2023-05-04 — — WO disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — US disclosed
WO-2023278325-A1 BIFUNCTIONAL COMPOUNDS THAT DEGRADE ALK AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-05 — — WO disclosed
WO-2022152852-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 — — WO disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 — — US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 — — CN disclosed
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-02-27 — — US disclosed
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 — — US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 — — US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 — — US disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 — — WO disclosed
CN-108112251-A NRF2 conditioning agents 葛兰素史克知识产权发展有限公司 2018-06-01 — — CN disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 — — US disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 — — WO disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 — — EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 — — 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 (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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HCAR2 1178/4885HTR2B 2077/4885HTR3E 1225/4885
US-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R HCAR2 1122/4885HTR2B 78/4885HTR3E 29/4885
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 HCAR2 864/4885HTR2B 2292/4885HTR3E 1819/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HCAR2 987/4885HTR2B 2564/4885HTR3E 937/4885
US-11117905-B2 Bisaryl heterocycles as NRF2 activators NFE2L2, KEAP1, NQO1 HCAR2 864/4885HTR2B 2292/4885HTR3E 1819/4885
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES NPY5R, XDH, NPY4R HCAR2 1122/4885HTR2B 78/4885HTR3E 29/4885

“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.