SCHEMBL698948

SCHEMBL698948

COC(=O)c1cccc(C(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CASR P41180 1/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9522934 0.91 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL84441 0.87 TSHR (0.53) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL246026 0.86 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL26453747 0.86 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL26453761 0.86 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL10609523 0.86 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL9754322 0.84 POLB (0.49) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL15019977 0.84 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL20466894 0.84 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL19354304 0.84 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761801-A Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same 四川科伦博泰生物医药股份有限公司 2023-09-15 CN disclosed
WO-2023104170-A1 COMPOUNDS FOR TREATING POLYQ-RELATED NEURODEGENERATIVE DISORDERS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-06-15 WO disclosed
WO-2022188792-A1 HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-09-15 WO disclosed
CN-110655539-B Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation 四川大学 2021-11-12 CN disclosed
CN-108467369-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2021-08-20 CN disclosed
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 US disclosed
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 US disclosed
CN-106496209-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-30 CN disclosed
CN-106496210-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-09 CN disclosed
CN-106518856-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-04-28 CN disclosed
US-9242969-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242969-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 US disclosed
EP-2970216-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2016-01-20 EP disclosed
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed
WO-2014151616-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-25 WO disclosed
WO-2014151616-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-25 WO disclosed
US-20140275003-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275003-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275003-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-18 US disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP 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-20140275003-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS TSHR 2740/4885LOXL2 2095/4885CYP4F2 1467/4885
US-10709712-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS TSHR 2740/4885LOXL2 2095/4885CYP4F2 1467/4885

“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.