SCHEMBL1840392

SCHEMBL1840392

CC(F)(F)c1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.59
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PTPN5 P54829 1/20 0.47
CYP19A1 P11511 6/20 0.46
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H3 Q13133 1/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2320753 0.86 KIF11 (0.59) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL516605 0.82 KIF11 (0.55) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL22303438 0.82 KIF11 (0.55) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL524351 0.80 KIF11 (0.86) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL20149636 0.80 KIF11 (0.64) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL29244941 0.80 KIF11 (0.64) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL678344 0.80 KIF11 (0.64) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL69655 0.80 KIF11 (0.86) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL2998724 0.80 KIF11 (0.64) KIF11CYP2A6ALDH1A1PTPN5CYP19A1
SCHEMBL12299036 0.79 TSHR (0.40) KIF11ALDH1A1TSHRCYP3A4NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559802-B Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2023-03-17 CN claimed
CN-113559802-A Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2021-10-29 CN claimed
WO-2026090589-A1 HETEROCYCLIC HBS1L DEGRADERS TANGO THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
CN-113559802-B Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2023-03-17 CN disclosed
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2022-09-22 US disclosed
EP-2921489-A1 2-PYRIDONE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-09-23 EP disclosed
US-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE UNIVERSITY OF OSLO (NO) 2015-08-27 US disclosed
CN-104768944-A 2-pyridone compound TAISHO PHARMACEUTICAL CO LTD 2015-07-08 CN disclosed
WO-2014077235-A1 2-PYRIDONE COMPOUND 大正製薬株式会社 (JP) 2014-05-22 WO disclosed
US-7960419-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2011-06-14 US disclosed
EP-2076502-B1 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-05-18 EP disclosed
US-20090182025-A1 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY 2009-07-16 US disclosed
EP-2076502-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-08 EP disclosed
WO-2008103185-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-08-28 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 (5 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-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 KIF11 3906/4885CYP2A6 283/4885ALDH1A1 240/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 KIF11 3906/4885CYP2A6 283/4885ALDH1A1 240/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 KIF11 3906/4885CYP2A6 283/4885ALDH1A1 240/4885
US-20090182025-A1 SUBSTITUTED CARBOXAMIDES CNR2, TRPV1, CNR1 KIF11 3536/4885CYP2A6 269/4885ALDH1A1 831/4885
US-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE FLI1, AFF1, CYP2F1 KIF11 827/4885CYP2A6 263/4885ALDH1A1 293/4885

“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.