SCHEMBL2163244

SCHEMBL2163244

CC(C#N)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP1A2 P05177 1/20 0.41
PNMT P11086 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39
AOC3 Q16853 1/20 0.38
TSHR P16473 4/20 0.38
HIF1A Q16665 3/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
CYP2C19 P33261 2/20 0.37
BLM P54132 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8763608 0.84 TSHR (0.42) ALDH1A1CYP3A4CYP1A2LMNATSHR
SCHEMBL4987182 0.83 PNMT (0.57) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL10079990 0.82 ADRB2 (0.44) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL20847708 0.82 CYP1A2 (0.41) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL27236092 0.80 CFD (0.44) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL18190402 0.80 CYP1A2 (0.40) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL10635042 0.79 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL6141168 0.78 ADRB2 (0.42) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL8660409 0.77 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL9664891 0.77 ALDH1A1 (0.62) ALDH1A1ADRB2ADRB1CYP3A4NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561251-A Modulators of TREX1 星座制药公司 2024-02-13 CN disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 CN disclosed
WO-2018189011-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
CN-102917590-B Tricyclic compound and the PBK inhibitor containing described compound ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US disclosed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 EP disclosed
CN-100445375-C Modified nitrilases and their use in methods for the production of carboxylic acids BASF AG (DE) 2008-12-24 CN disclosed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US disclosed
CN-1753990-A Modified nitrilases and their use in methods for the production of carboxylic acids BASF AG (DE) 2006-03-29 CN disclosed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP disclosed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 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 (2 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX ALDH1A1 808/4885ADRB2 871/4885ADRB1 1289/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX ALDH1A1 808/4885ADRB2 871/4885ADRB1 1289/4885

“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.