SCHEMBL3914458

SCHEMBL3914458

O=C(Oc1cnccn1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NAPRT Q6XQN6 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
PLOD2 O00469 1/20 0.33

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
SCHEMBL12622263 0.81 KDM4E (0.42) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL12673039 0.80 KMT2A (0.38) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL27623455 0.78 KDM4E (0.45) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL6990825 0.77 KMT2A (0.34) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL1030459 0.76 KDM4E (0.48) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL6604064 0.75 KDM4E (0.42) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL1899099 0.75 KMT2A (0.49) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL30880791 0.75 ADORA3 (0.50) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL7529038 0.75 KMT2A (0.45) KMT2AKDM4ENAPRTHCAR2TSHR
SCHEMBL306075 0.75 ADORA3 (0.50) KMT2AKDM4ENAPRTHCAR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916858-B Condensed imidazole radical derivative, its preparation and the purposes as drug 埃斯特韦制药股份公司 2018-09-14 CN claimed
CN-105916858-A Fused imidazolyl derivatives, their preparation and use as medicaments 埃斯特韦博士实验室股份公司 2016-08-31 CN claimed
CN-114621243-B Sulfonamide derivative and application thereof 上海拓界生物医药科技有限公司 2024-03-01 CN disclosed
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed
CN-116783199-A Pyrazolo [1,5-A ] pyrazine derivatives as BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-09-19 CN disclosed
US-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2023-03-16 US disclosed
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed
CN-114621243-A Sulfonamide derivative and application thereof 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed
CN-105916858-B Condensed imidazole radical derivative, its preparation and the purposes as drug 埃斯特韦制药股份公司 2018-09-14 CN disclosed
CN-107207504-A Phthalazinone derivatives, preparation method and the usage 四川科伦博泰生物医药股份有限公司 2017-09-26 CN disclosed
CN-105073742-B FLAP conditioning agents 詹森药业有限公司 2017-08-08 CN disclosed
CN-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 CN disclosed
CN-101501006-A Pyridone and pyridazinone derivatives as poly (ADP-ribose) polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-08-05 CN disclosed
CN-101417999-A Piperazines derivates, preparation method thereof and application thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-29 CN disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 CN disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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 (1 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-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 KMT2A 3801/4885KDM4E 4050/4885NAPRT 1750/4885

“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.