Sugi Predict

Sugi Predict / Compounds / SCHEMBL247216

SCHEMBL247216

SCHEMBL247216

Brc1cnn(-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.53
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MTOR P42345 2/20 0.44
▸ RPTOR Q8N122 1/20 0.42
▸ MLST8 Q9BVC4 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2E1 P05181 2/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ EP300 Q09472 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 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
SCHEMBL31132042 1.00 CYP2A6 (0.53) CYP2A6MEN1PKMKMT2AMTOR
SCHEMBL30239147 0.84 CYP2A6 (0.49) CYP2A6MTORRPTORMLST8CYP3A4
SCHEMBL12410587 0.81 CYP2A6 (0.56) CYP2A6MTORRPTORMLST8CYP3A4
SCHEMBL152495 0.80 GAA (0.59) MEN1PKMKMT2AGRM4HTT
SCHEMBL12004826 0.79 CYP2A6 (0.55) CYP2A6MTORRPTORMLST8CYP3A4
SCHEMBL16698011 0.79 MEN1 (0.59) MEN1PKMKMT2APRKCIGRM4
SCHEMBL3399230 0.78 CYP2A6 (0.53) CYP2A6MTORRPTORMLST8CYP3A4
SCHEMBL28194647 0.78 CYP2A6 (0.53) CYP2A6MTORRPTORMLST8CYP3A4
SCHEMBL3156531 0.78 CYP2A6 (0.53) CYP2A6MTORRPTORMLST8CYP3A4
SCHEMBL2121774 0.78 CYP2A6 (0.53) CYP2A6MEN1MTORRPTORMLST8

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
EP-4688778-A1 1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-2-OXOPYRROLIDINE-3-CARBONITRILE DERIVATIVES AS TYROSINE KINASE 2 (TYK2) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Biogen MA Inc. (US) 2026-02-11 — — EP disclosed
WO-2024211696-A1 1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-2-OXOPYRROLIDINE-3-CARBONITRILE DERIVATIVES AS TYROSINE KINASE 2 (TYK2) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2024-10-10 — — WO disclosed
US-20230063230-A1 NURR1 RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-02 — — US disclosed
EP-3927330-A1 NURR1 RECEPTOR MODULATORS The Regents of the University of California (US) 2021-12-29 — — EP disclosed
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
CN-103119036-B Heterocyclic Compounds as Pesticides 拜耳知识产权有限责任公司 2018-05-08 — — CN disclosed
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 — — EP disclosed
CN-103947645-B 1-(pyridin-3-yl)-pyrazoles and 1-(pyrimidine-5-base)-pyrazoles as insecticide 拜尔农作物科学股份公司 2016-07-06 — — CN disclosed
CN-102573478-B 1- (pyridin-3-yl) -pyrazoles and 1- (pyrimidin-5-yl) -pyrazoles as pesticides BAYER CROPSCIENCE AG (DE) 2015-12-16 — — CN disclosed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 — — US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 — — US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 — — US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 — — US disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 — — WO disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 — — WO disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 — — WO disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 — — 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 (3 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-20230063230-A1 NURR1 RECEPTOR MODULATORS NR2E3, NR4A2, NR0B1 CYP2A6 4109/4885MEN1 4447/4885PKM 3533/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CYP2A6 777/4885MEN1 2912/4885PKM 702/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CYP2A6 256/4885MEN1 2084/4885PKM 396/4885

“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.