SCHEMBL14743754

SCHEMBL14743754

CC(C(N)=O)n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADRB3 P13945 2/20 0.33
LRRK2 Q5S007 1/20 0.33
MGLL Q99685 1/20 0.32
ELANE P08246 1/20 0.32
NOS3 P29474 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL27710074 0.83 MEN1 (0.35) NOS1MEN1KMT2AADRB3MGLL
SCHEMBL3091768 0.82 ALDH1A1 (0.43) NOS1MEN1KMT2AADRB3ELANE
SCHEMBL6434486 0.82 MEN1 (0.37) NOS1MEN1KMT2AADRB3MGLL
SCHEMBL31354980 0.82 ALDH1A1 (0.43) NOS1MEN1KMT2AADRB3ELANE
SCHEMBL4663219 0.82 ALDH1A1 (0.43) NOS1MEN1KMT2AADRB3ELANE
SCHEMBL30697576 0.77 KMT2A (0.38) MEN1KMT2AADRB3ALDH1A1
SCHEMBL19292029 0.77 ADRB3 (0.41) NOS1MEN1KMT2AADRB3ELANE
SCHEMBL10362298 0.77 KMT2A (0.38) MEN1KMT2AADRB3ALDH1A1
SCHEMBL10513126 0.77 FDPS (0.36) NOS1MEN1KMT2AADRB3HTT
SCHEMBL3752518 0.76 NOS1 (0.36) NOS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306664-A Novel heterocyclic compounds as Pol theta inhibitors for the treatment and prevention of cancer and pharmaceutical compositions containing the same 株式会社大熊制药 2025-01-14 CN claimed
CN-119306664-A Novel heterocyclic compounds as Pol theta inhibitors for the treatment and prevention of cancer and pharmaceutical compositions containing the same 株式会社大熊制药 2025-01-14 CN disclosed
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 US disclosed
CN-115701991-A Pyrazolylpropionamide compounds and their use for treating prostate cancer 田纳西大学研究基金会 2023-02-14 CN disclosed
EP-4125846-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER University of Tennessee Research Foundation (US) 2023-02-08 EP disclosed
WO-2021257857-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2021-12-23 WO disclosed
WO-2021202936-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-10-07 WO disclosed
CN-102993195-B Substitutional-2-(chroman-6-oxyl) thiazole and application thereof as medicine 赛诺菲 2017-05-17 CN disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO disclosed
CN-102993195-A Substitutional-2-(chroman-6-oxyl) thiazole and application thereof as medicine SAI NUOFEI 2013-03-27 CN disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
CN-1070641-A Quinoxalinyl oxygen ether with the mutual resistance weeding of relevant application DU PONT (US) 1993-04-07 CN disclosed
CN-1069271-A Preparation [1] chromene is the method for [4,3-c] pyrazole compound also BOOTS CO PLC (GB) 1993-02-24 CN 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-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 NOS1 855/4885MEN1 3769/4885KMT2A 2407/4885

“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.