SCHEMBL2072909

SCHEMBL2072909

FC(F)(F)n1[c]nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SLC9A1 P19634 1/20 0.31
KEAP1 Q14145 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
THPO P40225 1/20 0.31
CYP4Z1 Q86W10 1/20 0.31
PIK3CB P42338 1/20 0.31
NOS2 P35228 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL558259 0.72 ATM (0.39) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL811367 0.72 ATM (0.39) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL909191 0.69 MAPK1 (0.33) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL75687 0.68 SLC9A1 (0.43) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL1264258 0.68 MAPT (0.43) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL407498 0.68 POLB (0.39) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL2073661 0.68 POLB (0.39) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL655742 0.68 POLB (0.48) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL909858 0.68 POLB (0.35) MAPK1POLBATMALDH1A1KDM4E
SCHEMBL67806 0.65 HTT (0.42) MAPK1POLBATMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153674-B Iminothiadiazine dioxide derivatives as inhibitors of plasmepsin V of plasmodium UCB生物制药有限责任公司 2022-03-22 CN disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 CN disclosed
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2019-10-22 US disclosed
CN-109153674-A Iminothiadiazine dioxide derivatives as inhibitors of plasmepsin V of plasmodium UCB生物制药私人有限公司 2019-01-04 CN disclosed
EP-3419975-A1 IMINOTHIADIAZINANE DIOXIDE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2019-01-02 EP disclosed
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-12-20 US disclosed
EP-3157922-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2018-11-28 EP disclosed
EP-3386984-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-10-17 EP disclosed
US-10087180-B2 Pyrazolo-pyridine derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-02 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
EP-1976833-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-08 EP disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
WO-2007052073-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-10 WO disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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 (6 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 MAPK1 1394/4885POLB 1279/4885ATM 2201/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 MAPK1 2702/4885POLB 2391/4885ATM 2079/4885
US-10087180-B2 Pyrazolo-pyridine derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2A MAPK1 116/4885POLB 2520/4885ATM 780/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B MAPK1 1550/4885POLB 701/4885ATM 604/4885
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2B MAPK1 171/4885POLB 1951/4885ATM 1589/4885
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2B MAPK1 171/4885POLB 1951/4885ATM 1589/4885

“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.