Sugi Predict

Sugi Predict / Compounds / SCHEMBL4522982

SCHEMBL4522982

SCHEMBL4522982

CC1(C)Cc2ccccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP2 O95551 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MPI P34949 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR2F2 P24468 1/20 0.44
▸ PDGFRB P09619 3/20 0.42
▸ PDGFRA P16234 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40

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
SCHEMBL4533531 0.88 CYP1A2 (0.42) LMNAALDH1A1TDP2KDM4EAPAF1
SCHEMBL4524014 0.88 NR2F2 (0.41) LMNAALDH1A1TDP2KDM4EAPAF1
SCHEMBL4521246 0.88 AKR1C3 (0.44) LMNAALDH1A1TDP2MAPTNR2F2
SCHEMBL4531880 0.88 CYP1A2 (0.42) LMNAALDH1A1TDP2KDM4EAPAF1
SCHEMBL4529286 0.88 NPC1 (0.42) LMNAALDH1A1TDP2MAPTNR2F2
SCHEMBL15944503 0.88 ALDH1A1 (0.44) LMNAALDH1A1TDP2KDM4EAPAF1
SCHEMBL15910480 0.88 LMNA (0.44) LMNAALDH1A1TDP2KDM4EAPAF1
SCHEMBL4530771 0.87 TDP2 (0.41) LMNAALDH1A1TDP2KDM4EMAPT
SCHEMBL4507229 0.87 LMNA (0.43) LMNAALDH1A1TDP2KDM4EAPAF1
SCHEMBL4521710 0.87 BIRC5 (0.47) LMNAALDH1A1TDP2KDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014079752-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 — — WO claimed
WO-2014079730-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 — — WO claimed
US-20180086714-A1 Quinoline Compounds BASF SE (DE) 2018-03-29 — — US disclosed
US-20180086714-A1 Quinoline Compounds BASF SE (DE) 2018-03-29 — — US disclosed
US-9499515-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2016-11-22 — — US disclosed
US-9499515-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2016-11-22 — — US disclosed
US-9499515-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2016-11-22 — — US disclosed
EP-2762473-B1 PRODUCTION METHOD FOR 4, 4-DIFLUORO-3,4-DIHYDROISOQUINOLINE DERIVATIVE MITSUI CHEMICALS AGRO INC (JP) 2016-08-31 — — EP disclosed
EP-2762474-B1 PRODUCTION METHODS FOR 3,4-DIHYDROISOQUINOLINE DERIVATIVES, AND PRODUCTION INTERMEDIATES FOR SAME MITSUI CHEMICALS AGRO INC (JP) 2016-02-24 — — EP disclosed
EP-2762474-B1 PRODUCTION METHODS FOR 3,4-DIHYDROISOQUINOLINE DERIVATIVES, AND PRODUCTION INTERMEDIATES FOR SAME MITSUI CHEMICALS AGRO INC (JP) 2016-02-24 — — EP disclosed
US-20160039786-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2016-02-11 — — US disclosed
EP-2762474-A1 PRODUCTION METHODS FOR 3,4-DIHYDROISOQUINOLINE DERIVATIVES, AND PRODUCTION INTERMEDIATES FOR SAME Mitsui Chemicals Agro, Inc. (JP) 2014-08-06 — — EP disclosed
CN-103814023-A Method for producing 4, 4-difluoro-3, 4-dihydroisoquinoline derivative MITSUI CHEMICALS AGRO INC 2014-05-21 — — CN disclosed
CN-103814022-A Process for producing 3, 4-dihydroisoquinoline derivative and intermediate for producing the same MITSUI CHEMICALS AGRO INC 2014-05-21 — — CN disclosed
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 — — EP disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 — — US disclosed
CN-100556904-C 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2009-11-04 — — CN disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 — — US disclosed
CN-1910172-A 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2007-02-07 — — CN disclosed
EP-1736471-A1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES Sankyo Agro Company, Limited (JP) 2006-12-27 — — 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-20160039786-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME SDHA, NDUFS3, GOT2 LMNA 3015/4885ALDH1A1 186/4885TDP2 2324/4885
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL LMNA 2721/4885ALDH1A1 1185/4885TDP2 1584/4885
US-20180086714-A1 Quinoline Compounds NQO2, NQO1, SQOR LMNA 2444/4885ALDH1A1 380/4885TDP2 831/4885

“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.