SCHEMBL4354057

SCHEMBL4354057

CCOc1cncnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
ALDH1A1 P00352 4/20 0.45
ENPP1 P22413 2/20 0.44
KCNH2 Q12809 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3081479 0.78
SCHEMBL28181670 0.77 AOC3 (0.48) AOC3ALDH1A1KCNH2CA12CA1
SCHEMBL26647420 0.75 AOC3 (0.52) AOC3ALDH1A1CA12CA1CA2
SCHEMBL27809890 0.72 ALOX15 (0.42) ALDH1A1ENPP1KDM4E
SCHEMBL5202073 0.72 L3MBTL1 (0.43) ALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL2059142 0.72 AOC3 (0.47) AOC3ALDH1A1L3MBTL1
SCHEMBL2148701 0.71 ALDH1A1 (0.39) AOC3ALDH1A1ENPP1L3MBTL1HPGD
SCHEMBL22339621 0.71 CYP17A1 (0.36) AOC3ALDH1A1KCNH2L3MBTL1HPGD
SCHEMBL907670 0.71 KDM4E (0.43) ALDH1A1HPGDKDM4E
SCHEMBL8128943 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521289-B1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2023-10-25 EP disclosed
US-20210338673-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-11-04 US disclosed
EP-3521289-A1 MNK INHIBITORS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2019-08-07 EP disclosed
US-20190209560-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2019-07-11 US disclosed
US-20180085368-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. (NL) 2018-03-29 US disclosed
US-9814718-B2 MNK inhibitors and methods related thereto EFFECTOR THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9814718-B2 MNK inhibitors and methods related thereto EFFECTOR THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20170266185-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2017-09-21 US disclosed
US-20170266185-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2017-09-21 US disclosed
US-9669031-B2 MNK inhibitors and methods related thereto EFFECTOR THERAPEUTICS, INC. (US) 2017-06-06 US disclosed
WO-2015200481-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. (US) 2015-12-30 WO disclosed
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
WO-2009137733-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-0735024-A1 Antidepressant N-(Heteroarylaminoalkyl)-4-napthyl substituted piperidines and tetrahydroperidines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-02 EP disclosed
US-5472966-A Antiserotonin agents; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-05 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP 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 (5 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-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 AOC3 1346/4885ALDH1A1 56/4885ENPP1 1172/4885
US-20190209560-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 AOC3 2328/4885ALDH1A1 4285/4885ENPP1 2585/4885
US-20180085368-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 AOC3 2328/4885ALDH1A1 4285/4885ENPP1 2585/4885
US-20210338673-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 AOC3 2328/4885ALDH1A1 4285/4885ENPP1 2585/4885
US-20170266185-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 AOC3 2328/4885ALDH1A1 4285/4885ENPP1 2585/4885

“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.