SCHEMBL9527615

SCHEMBL9527615

FC(F)(F)c1ccccc1-n1cccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MAPK1 P28482 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PMP22 Q01453 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
NTRK1 P04629 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 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
SCHEMBL31297066 1.00 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL29678515 0.86 MAPK1 (0.46) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL27785511 0.83 MAPK1 (0.46) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL12406147 0.81 MAPK1 (0.51) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL12750055 0.80 ALDH1A1 (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL4341886 0.80 MAPK1 (0.67) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL30332135 0.79 MAPK1 (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL30332441 0.79 MAPK1 (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL28324866 0.79 EPHX2 (0.50) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL19823249 0.78 MAPT (0.42) MAPTMAPK1KMT2AALDH1A1MEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728909-A Composition for preventing or treating cancer comprising novel trifluoromethylphenylpyrazole derivative as active ingredient 韩国原子力医学院 2022-07-08 CN disclosed
CN-114728909-A Composition for preventing or treating cancer comprising novel trifluoromethylphenylpyrazole derivative as active ingredient 韩国原子力医学院 2022-07-08 CN disclosed
CN-114728909-A Composition for preventing or treating cancer comprising novel trifluoromethylphenylpyrazole derivative as active ingredient 韩国原子力医学院 2022-07-08 CN disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
WO-2021060888-A2 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT 한국원자력의학원 2021-04-01 WO disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
CN-108477173-A Heterocyclic compound as insecticide 拜耳农作物科学股份公司 2018-09-04 CN disclosed
CN-105101800-B Heterocyclic Compounds as Pesticides 拜耳农作物科学股份公司 2018-04-13 CN disclosed
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-08 US disclosed
US-8664257-B2 Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-04 US disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 CN disclosed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed
EP-0523141-A4 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES 1993-04-21 EP disclosed
EP-0523141-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO. INC. (US) 1993-01-20 EP disclosed
US-4359474-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-11-16 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 (4 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-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity MELK, TK1, DCK MAPT 2852/4885MAPK1 249/4885KMT2A 962/4885
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE MAPT 4372/4885MAPK1 3476/4885KMT2A 4267/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 MAPT 4354/4885MAPK1 1826/4885KMT2A 784/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE MAPT 4372/4885MAPK1 3476/4885KMT2A 4267/4885

“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.