Sugi Predict

Sugi Predict / Compounds / SCHEMBL305219

SCHEMBL305219

SCHEMBL305219

N#Cc1cc2ccccc2c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CHEK1 O14757 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 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
SCHEMBL16008294 0.79 CYP2A6 (0.39) CHEK1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL3293314 0.78 CA1 (0.42) CA1CA2CHEK1KDM4EALDH1A1
SCHEMBL854207 0.77 CYP2A6 (0.42) CA1CA2CHEK1KDM4EALDH1A1
SCHEMBL8272302 0.77 KDM4E (0.41) CA1CA2CHEK1KDM4EALDH1A1
SCHEMBL16008258 0.74 CHEK1 (0.40) CHEK1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL7882102 0.74 TRPM4 (0.45) KDM4EALDH1A1L3MBTL1MAPTTDP1
SCHEMBL23877255 0.73 CA1 (0.38) CA1CA2CHEK1KDM4EALDH1A1
SCHEMBL5504990 0.73 HTR3A (0.47) CA1CA2KDM4EALDH1A1MAPT
SCHEMBL3638669 0.73 CYP1A2 (0.46) CA1CA2KDM4EALDH1A1L3MBTL1
SCHEMBL13443862 0.73 SQOR (0.46) CA1CA2KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786608-B2 Isoquinolinyl triazolone complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
CN-109071496-B Isoquinolinyl triazolone complexes 武田药品有限公司 2021-07-30 — — CN disclosed
EP-3436447-B1 ISOQUINOLINYL TRIAZOLONE COMPLEXES TAKEDA PHARMACEUTICALS CO (JP) 2021-07-14 — — EP disclosed
US-20210138086-A1 ISOQUINOLINYL TRIAZOLONE COMPLEXES CHEN RONGLIANG (US) 2021-05-13 — — US disclosed
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 — — EP disclosed
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 — — US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 — — US disclosed
EP-3436447-A1 ISOQUINOLINYL TRIAZOLONE COMPLEXES Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP disclosed
EP-3235814-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2018-12-12 — — EP disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — US disclosed
CN-1299677-C Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-02-14 — — CN disclosed
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid WANG XIANGDONG A 2006-08-03 — — US disclosed
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 — — US disclosed
CN-1668297-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-09-14 — — CN disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — 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 (7 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-11786608-B2 Isoquinolinyl triazolone complexes BTK, LCK, SYK CA1 3248/4885CA2 2337/4885CHEK1 61/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP CA1 4867/4885CA2 4483/4885CHEK1 3911/4885
US-20210138086-A1 ISOQUINOLINYL TRIAZOLONE COMPLEXES BTK, LCK, SYK CA1 3248/4885CA2 2337/4885CHEK1 61/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 CA1 4734/4885CA2 4207/4885CHEK1 33/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 CA1 4222/4885CA2 4434/4885CHEK1 2812/4885
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid PRSS1, CTRL, CTRB1 CA1 1483/4885CA2 2491/4885CHEK1 3058/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 CA1 4734/4885CA2 4207/4885CHEK1 33/4885

“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.