SCHEMBL17962255

SCHEMBL17962255

[c]1cccc(-c2cccc3ncccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ACVR1 Q04771 3/20 0.45
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ERN1 O75460 4/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 2/20 0.39
FYN P06241 1/20 0.38
POLB P06746 1/20 0.38
ATR Q13535 1/20 0.38
P2RX7 Q99572 1/20 0.37
MCL1 Q07820 1/20 0.37
GRM4 Q14833 1/20 0.37
CNR2 P34972 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
SCHEMBL21295805 0.89 TGFBR1 (0.47) ACVR1KDM4EMAPTGRM4
SCHEMBL695067 0.81 CA12 (0.55) CA12CA1CA2CA9ACVR1
SCHEMBL28604008 0.81 GPR3 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL4658401 0.79 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL27906606 0.77 ERN1 (0.48) CA12CA1CA2CA9ACVR1
SCHEMBL17334527 0.77 CA12 (0.57) CA12CA1CA2CA9ACVR1
SCHEMBL198641 0.76 MAPT (0.64) CA12CA1CA2CA9ACVR1
SCHEMBL12074247 0.76 CA12 (0.65) CA12CA1CA2CA9ACVR1
SCHEMBL15511325 0.75 CCR1 (0.48) CA1CA2CA9KDM4EMAPT
SCHEMBL28603609 0.75 KDM4E (0.44) KDM4EMAPTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 EP disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 WO disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US 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 (4 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CA12 3982/4885CA1 2147/4885CA2 2966/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA CA12 3982/4885CA1 2147/4885CA2 2966/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA CA12 3982/4885CA1 2147/4885CA2 2966/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CA12 3982/4885CA1 2147/4885CA2 2966/4885

“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.