Sugi Predict

Sugi Predict / Compounds / SCHEMBL1780240

SCHEMBL1780240

SCHEMBL1780240

N#Cc1cc[nH]c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ TSHR P16473 1/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL9040621 0.79 MAOA (0.47) MCL1ALDH1A1KDM4EMAOAMAOB
SCHEMBL7784781 0.79 MCL1 (0.49) MCL1ALDH1A1KDM4EHPGDMAOA
SCHEMBL9270880 0.77 CYP11B2 (0.54) ALDH1A1KDM4EHPGDDYRK1A
SCHEMBL9219845 0.75 KIF11 (0.56) ALDH1A1KDM4ETDP1
SCHEMBL27447299 0.75 LOXL2 (0.52) CHUK
SCHEMBL193826 0.74 LRRK2 (0.47) MCL1ALDH1A1KDM4EHPGDMAOA
SCHEMBL9225793 0.74 LRRK2 (0.47) MCL1ALDH1A1KDM4EHPGDMAOA
SCHEMBL6616056 0.72 CHUK (0.43) MCL1ALDH1A1HPGDMAOAMAOB
SCHEMBL9316783 0.72 LRRK2 (0.47) MCL1ALDH1A1KDM4EHPGDTSHR
SCHEMBL28828309 0.72 CHUK (0.43) MCL1ALDH1A1KDM4EHPGDIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104995193-A Aryl sulfide and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG 2015-10-21 — — CN claimed
CN-109020860-B 2-aryl-3-ester group polysubstituted pyrrole compound and synthesis and refining method thereof BAOJI UNIVERSITY OF ARTS AND SCIENCES (CN) 2021-06-22 — — CN disclosed
US-10479778-B2 Substituted pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-11-19 — — US disclosed
US-10479779-B2 Substituted pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-11-19 — — US disclosed
CN-110023303-A Tetrazolinone compounds and their use as pest control agents 住友化学株式会社 2019-07-16 — — CN disclosed
CN-105492432-B Tetrazolinone compound and use thereof 住友化学株式会社 2019-06-14 — — CN disclosed
CN-105408322-B Terazololine-one compound and application thereof 住友化学株式会社 2019-04-19 — — CN disclosed
CN-105980366-B Six-membered C-N-linked aryl thioether derivatives and aryl sulfoxide derivatives as pest control agents 拜耳作物科学股份公司 2018-12-14 — — CN disclosed
EP-2880025-B1 SUBSTITUTED PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-12-05 — — EP disclosed
US-20180339978-A1 SUBSTITUTED PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2018-11-29 — — US disclosed
US-5187184-A Mixtures of substituted arylpyrroles and arylpyrazoles AMERICAN CYANAMID COMPANY (US) 1993-02-16 — — US disclosed
EP-0492125-A1 Insecticidal and synergistic miticidal compositions AMERICAN CYANAMID COMPANY (US) 1992-07-01 — — EP disclosed
CN-1058772-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1992-02-19 — — CN disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 — — US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 — — US disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 — — EP disclosed
CN-1039807-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1990-02-21 — — CN disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 — — EP disclosed
US-4857651-A α-(2,3-Di(C1 -C4 alkoxy)ethylamino)-β-cyanostyrene and β-nitrostyrene compounds useful as intermediates in the preparation of insecticidal, acaricidal and nematicidal arylpyrroles and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-08-15 — — US disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 — — EP 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-20180339978-A1 SUBSTITUTED PYRROLES ACTIVE AS KINASES INHIBITORS JAK2, JAK1, JAK3 MCL1 870/4885ALDH1A1 3525/4885KDM4E 547/4885
US-10479779-B2 Substituted pyrroles active as kinases inhibitors JAK2, JAK1, JAK3 MCL1 870/4885ALDH1A1 3525/4885KDM4E 547/4885
US-10479778-B2 Substituted pyrroles active as kinases inhibitors JAK2, JAK1, JAK3 MCL1 870/4885ALDH1A1 3525/4885KDM4E 547/4885

“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.