SCHEMBL480131

SCHEMBL480131

Cc1nc(F)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
AR P10275 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
IDH1 O75874 2/20 0.34
MBOAT4 Q96T53 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30666086 0.77 CYP11B2 (0.41) CYP11B2CYP11B1TDP1L3MBTL1TRPV4
SCHEMBL5212018 0.77 CYP11B2 (0.41) CYP11B2CYP11B1TDP1L3MBTL1TRPV4
SCHEMBL30666087 0.77 CYP11B2 (0.41) CYP11B2CYP11B1TDP1L3MBTL1TRPV4
SCHEMBL1641172 0.77 HRH4 (0.45) CYP11B2CYP11B1TDP1L3MBTL1TSHR
SCHEMBL31253097 0.77 HRH4 (0.45) CYP11B2CYP11B1TDP1L3MBTL1TSHR
SCHEMBL21928096 0.76 EGLN2 (0.40) CYP11B2CYP11B1TDP1L3MBTL1TSHR
SCHEMBL24417209 0.74 USP8 (0.36) TSHRCYP1A2CYP2C19KDM4EMEN1
SCHEMBL18121299 0.74 KHK (0.48) CYP11B2CYP11B1TDP1TRPV4CYP1A2
SCHEMBL21657144 0.74 TSHR (0.37) CYP11B2CYP11B1TDP1L3MBTL1TSHR
SCHEMBL559359 0.74 NOS3 (0.52) TSHRARCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114361590-B Electrolyte additive for lithium ion battery, electrolyte and lithium ion battery 松山湖材料实验室 2023-07-25 CN claimed
CN-114361590-A Lithium ion battery electrolyte additive, electrolyte and lithium ion battery 松山湖材料实验室 2022-04-15 CN claimed
EP-3339287-B1 NEW TYPE OF ANTIVIRAL COMPOUND INST MED BIOTECHNOLOGY CAMS (CN) 2020-07-01 EP claimed
US-10252987-B2 Type of antiviral compound INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-04-09 US claimed
US-20180208549-A1 NEW TYPE OF ANTIVIRAL COMPOUND INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2018-07-26 US claimed
EP-3339287-A1 NEW TYPE OF ANTIVIRAL COMPOUND Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2018-06-27 EP claimed
CN-106467501-A Novel antivirus compound 中国医学科学院医药生物技术研究所 2017-03-01 CN claimed
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 CN disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed
CN-114361590-A Lithium ion battery electrolyte additive, electrolyte and lithium ion battery 松山湖材料实验室 2022-04-15 CN disclosed
EP-3339287-B1 NEW TYPE OF ANTIVIRAL COMPOUND INST MED BIOTECHNOLOGY CAMS (CN) 2020-07-01 EP disclosed
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2020-06-11 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
EP-1934206-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-25 EP disclosed
WO-2007039172-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 CYP11B2 1266/4885CYP11B1 1769/4885TDP1 1068/4885
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 CYP11B2 678/4885CYP11B1 729/4885TDP1 1863/4885
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A CYP11B2 1324/4885CYP11B1 1133/4885TDP1 756/4885
US-10252987-B2 Type of antiviral compound ZC3HAV1, ZC3HAV1L, EIF2AK2 CYP11B2 2226/4885CYP11B1 2497/4885TDP1 2706/4885
US-20180208549-A1 NEW TYPE OF ANTIVIRAL COMPOUND ZC3HAV1, ZC3HAV1L, EIF2AK2 CYP11B2 2257/4885CYP11B1 2486/4885TDP1 2698/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CYP11B2 678/4885CYP11B1 729/4885TDP1 1863/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CYP11B2 704/4885CYP11B1 736/4885TDP1 1904/4885

“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.