SCHEMBL628397

SCHEMBL628397

NC(=O)c1cccnc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 4/20 0.47
CD38 P28907 1/20 0.47
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 2/20 0.43
NAPRT Q6XQN6 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
AHR P35869 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 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
SCHEMBL29687007 1.00 PARP1 (0.51) PARP1HDAC6KDM4ECD38MAPT
Hydrochloric Acid SCHEMBL6828318 0.98 PARP1 (0.50) PARP1HDAC6KDM4ECD38MAPT
SCHEMBL30704816 0.88 HDAC6 (0.45) PARP1HDAC6KDM4ECD38MAPT
SCHEMBL30810274 0.85 NUDT1 (0.49) PARP1HDAC6KDM4ECD38MAPT
SCHEMBL27764496 0.85 HDAC6 (0.50) HDAC6KDM4ECD38MAPTHTT
SCHEMBL27736224 0.83 SSTR4 (0.41) PARP1HDAC6KDM4ECD38MAPT
SCHEMBL29488337 0.83 NAPRT (0.58) HDAC6KDM4EMAPTHTTHSD17B10
SCHEMBL413572 0.83 NAPRT (0.58) HDAC6KDM4EMAPTHTTHSD17B10
SCHEMBL2312138 0.83 HDAC6 (0.43) PARP1HDAC6KDM4ECD38MAPT
SCHEMBL29535373 0.82 ALDH1A1 (0.46) PARP1KDM4ECD38MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof HK INNO.N CORPORATION (KR) 2024-12-31 US claimed
CN-118271285-A Azetidine-containing amide derivative, preparation method and application thereof 贵州大学 2024-07-02 CN claimed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN claimed
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP claimed
EP-4135518-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2023-02-22 EP claimed
EP-4135519-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2023-02-22 EP claimed
CN-115551354-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN claimed
CN-115551355-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN claimed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP claimed
US-20220009902-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HK INNO.N CORPORATION (KR) 2022-01-13 US claimed
EP-2419420-A1 INDOLE DERIVATIVE MODULATORS OF THE ALPHA 7 NACHR Glaxo Group Limited (GB) 2012-02-22 EP claimed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP claimed
WO-2010119078-A1 INDOLE DERIVATIVE MODULATORS OF THE ALPHA 7 NACHR GLAXO GROUP LIMITED (GB) 2010-10-21 WO claimed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO claimed
WO-2008130323-A1 NOVEL 8-PIPERAZINE-TETRAHYDRONAPHTALENE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO claimed

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-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof MAP3K20, MAP3K1, MAP3K15 PARP1 1984/4885HDAC6 753/4885KDM4E 1696/4885
US-20220009902-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF MAP3K20, MAP3K1, MAP3K15 PARP1 1998/4885HDAC6 703/4885KDM4E 1970/4885

“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.