SCHEMBL2955010

SCHEMBL2955010

Cc1ccc(C)[n+]([O-])c1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC8 Q9BY41 1/20 0.32
CYP2A6 P11509 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
ABCC1 P33527 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL29560364 1.00 TSHR (0.37) TSHRALDH1A1MAPTKDM4EHDAC8
SCHEMBL4919141 0.79 GPR84 (0.33) TSHRALDH1A1MAPTKDM4E
SCHEMBL14620483 0.69 KDM4E (0.41) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL1432084 0.68 TSHR (0.40) TSHRALDH1A1MAPTHDAC8GMNN
SCHEMBL31559509 0.68 TSHR (0.40) TSHRALDH1A1MAPTHDAC8GMNN
SCHEMBL11293059 0.67 TSHR (0.39) TSHRALDH1A1MAPTKDM4E
SCHEMBL17316478 0.67 TSHR (0.39) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL11956561 0.65 KDM4E (0.38) TSHRALDH1A1MAPTKDM4E
SCHEMBL11956555 0.65 KDM4E (0.38) TSHRALDH1A1MAPTKDM4ECYP3A4
SCHEMBL8270010 0.65 HDAC8 (0.42) TSHRALDH1A1HDAC8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
US-20230108594-A1 EIF4E-INHIBITING COMPOUNDS AND METHODS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-04-06 US disclosed
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 EP disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 CN disclosed
US-11286268-B1 EIF4E-inhibiting compounds and methods EFFECTOR THERAPEUTICS, INC. (US) 2022-03-29 US disclosed
WO-2021003157-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS EFFECTOR THERAPEUTICS, INC. (US) 2021-01-07 WO disclosed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO disclosed
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2053042-A1 Pyridine compounds for the treatment of prostaglandin mediated diseases Glaxo Group Limited (GB) 2009-04-29 EP disclosed
EP-1833795-B1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LTD (GB) 2009-03-04 EP disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
EP-1833795-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 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 (7 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G TSHR 570/4885ALDH1A1 3435/4885MAPT 1301/4885
US-11286268-B1 EIF4E-inhibiting compounds and methods EIF4E, EIF4EBP1, EIF4A1 TSHR 2656/4885ALDH1A1 4794/4885MAPT 1031/4885
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER2 TSHR 167/4885ALDH1A1 2043/4885MAPT 4574/4885
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER4 TSHR 353/4885ALDH1A1 1882/4885MAPT 4518/4885
US-20230108594-A1 EIF4E-INHIBITING COMPOUNDS AND METHODS EIF4E, EIF4EBP1, EIF4A1 TSHR 2656/4885ALDH1A1 4794/4885MAPT 1031/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G TSHR 570/4885ALDH1A1 3435/4885MAPT 1301/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G TSHR 570/4885ALDH1A1 3435/4885MAPT 1301/4885

“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.