Sugi Predict

Sugi Predict / Compounds / SCHEMBL535139

SCHEMBL535139

SCHEMBL535139

NCc1ccc(Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TSHR P16473 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP2A6 P11509 1/20 0.46
▸ IDO1 P14902 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ PNMT P11086 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ AOC1 P19801 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
Hydrochloric Acid SCHEMBL27971896 0.98 CYP3A4 (0.52) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
Hydrochloric Acid SCHEMBL25368153 0.98 CYP3A4 (0.52) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL9629784 0.83 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL11778076 0.83 CYP3A4 (0.56) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL13245880 0.82 TSHR (0.50) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL358331 0.81 CYP3A4 (0.54) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL775188 0.81 CYP3A4 (0.54) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL29758099 0.81 CYP3A4 (0.54) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL701343 0.80 CYP2A6 (0.48) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL14085079 0.79 CYP3A4 (0.52) CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 — — US disclosed
EP-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117355523-A Polycyclic inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
WO-2022197789-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
CN-108264489-B Method for synthesizing quinazoline in water 南京理工大学 2021-06-08 — — CN disclosed
CN-103833827-B A kind of amides compound, its pharmaceutical composition, preparation method and application 上海医药工业研究院 2016-08-03 — — CN disclosed
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 — — US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 — — US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 — — US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 — — US disclosed
US-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 — — US disclosed
CN-1794996-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2006-06-28 — — CN disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 — — EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 — — WO disclosed
CN-1553931-A Polypropylene resin compositions �������⻯ѧƷ�ع����޹�˾ 2004-12-08 — — CN disclosed
EP-0355351-B1 Process for the preparation of amines BAYER AG (DE) 1993-11-10 — — EP disclosed
US-5011996-A Process for the preparation of amines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-30 — — US disclosed
EP-0355351-A2 Process for the preparation of amines BAYER AG (DE) 1990-02-28 — — EP disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 — — US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 — — US 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-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines HTR5A, HTR1A, HTR1E CYP3A4 332/4885SMN1; SMN2 3144/4885TSHR 108/4885
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 CYP3A4 2012/4885SMN1; SMN2 4835/4885TSHR 4069/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 CYP3A4 83/4885SMN1; SMN2 4592/4885TSHR 362/4885

“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.