SCHEMBL13487562

SCHEMBL13487562

CCc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 12/20 0.46
GABRA2 P47869 10/20 0.46
GABRB2 P47870 10/20 0.46
PDE2A O00408 2/20 0.44
MRGPRX4 Q96LA9 1/20 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
SCHEMBL24985323 0.90 GABRB3 (0.46) GABRB3GABRA2GABRB2PDE2AMRGPRX4
SCHEMBL16997380 0.78 GABRA2 (0.39) GABRB3GABRA2GABRB2PDE2A
SCHEMBL18256224 0.77 PDE2A (0.36) GABRB3GABRA2GABRB2PDE2A
SCHEMBL9852668 0.77 PDE2A (0.36) GABRB3GABRA2GABRB2PDE2A
SCHEMBL10414034 0.77 ALDH1A1 (0.39) GABRB3GABRA2GABRB2PDE2A
SCHEMBL10443167 0.77 PDE2A (0.36) GABRB3GABRA2GABRB2PDE2A
SCHEMBL2998348 0.77 PDE2A (0.36) GABRB3GABRA2GABRB2PDE2A
SCHEMBL319759 0.77 ALDH1A1 (0.42) GABRB3GABRA2GABRB2PDE2A
SCHEMBL12016028 0.77 CACNA1H (0.40) GABRB3GABRA2GABRB2PDE2AMRGPRX4
SCHEMBL23791259 0.76 RAPGEF4 (0.39) GABRB3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
EP-3702355-B1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-01-12 EP disclosed
WO-2021083185-A1 PYRIMIDINE-CONTAINING PIPERIDINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
EP-2913325-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2021-04-21 EP disclosed
EP-3760617-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-01-06 EP disclosed
EP-3719015-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-10-07 EP disclosed
EP-3299366-B1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE AND PREPARATION METHOD AND USE THEREOF AS PESTICIDES SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2020-09-09 EP disclosed
EP-3702355-A1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2020-09-02 EP disclosed
EP-3081565-B9 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2020-08-12 EP disclosed
WO-2018072736-A1 PYRIDAZINONE COMPOUND AND APPLICATION THEREOF 沈阳中化农药化工研发有限公司 2018-04-26 WO disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 US disclosed
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-11-17 US disclosed
US-9447081-B2 Substituted pyrimidines as pharmaceuticals and insecticides SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-09-20 US disclosed
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2015-09-17 US disclosed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 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 (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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 GABRB3 553/4885GABRA2 384/4885GABRB2 631/4885
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof TYR, GART, LRRK2 GABRB3 3788/4885GABRA2 4504/4885GABRB2 3970/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R GABRB3 98/4885GABRA2 56/4885GABRB2 102/4885
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF CTRC, APRT, MASTL GABRB3 4493/4885GABRA2 4846/4885GABRB2 4674/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R GABRB3 146/4885GABRA2 122/4885GABRB2 144/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR GABRB3 2909/4885GABRA2 3089/4885GABRB2 3291/4885
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF CLPP, LRRK2, MYB GABRB3 2305/4885GABRA2 3984/4885GABRB2 2770/4885

“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.