SCHEMBL916463

SCHEMBL916463

OCCN1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.48
KCNA3 P22001 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SPHK1 Q9NYA1 1/20 0.41
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36

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
SCHEMBL9912445 0.85
SCHEMBL1361943 0.85
SCHEMBL1099390 0.85 KCNA3 (0.43) SLC18A3KCNA3SPHK1KMT2ALMNA
SCHEMBL9912480 0.85
SCHEMBL4022192 0.83 KCNA3 (0.42) SLC18A3KCNA3SPHK1ARG1ARG2
Hydrochloric Acid SCHEMBL27790308 0.83 KCNA3 (0.42) SLC18A3KCNA3KDM4ESPHK1KMT2A
SCHEMBL25975585 0.82 SLC18A3 (0.47) SLC18A3KDM4EALDH1A1KMT2APKM
SCHEMBL8015299 0.81 SPHK1 (0.44) KCNA3SPHK1ARG1ARG2
SCHEMBL8022494 0.81 SPHK1 (0.44) KCNA3SPHK1ARG1ARG2
SCHEMBL1569976 0.79 SLC18A3 (0.48) SLC18A3KDM4EALDH1A1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO claimed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO claimed
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-02-02 US claimed
US-9499522-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-11-22 US claimed
EP-2970231-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS Blueprint Medicines Corporation (US) 2016-01-20 EP claimed
WO-2014160521-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 WO claimed
US-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 US claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
EP-1780197-B9 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-04-06 EP claimed
EP-1780197-B1 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-10-20 EP claimed
WO-2004108707-A1 PYRIDAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108710-A1 4-PYRIMIDINYL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108704-A1 PYRIMIDIN-4-YL 3-CYANOQUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004069827-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004069249-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004069250-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 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-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B SLC18A3 2136/4885KCNA3 2284/4885KDM4E 2952/4885
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B SLC18A3 2136/4885KCNA3 2284/4885KDM4E 2952/4885

“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.