SCHEMBL7449832

SCHEMBL7449832

CNc1cc(C)c2ncccc2c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.54
▸ KMT2A Q03164 8/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPY1R P25929 9/20 0.48
▸ MAPT P10636 7/20 0.48
▸ CYP2C19 P33261 5/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TDP1 Q9NUW8 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL15323178 0.81 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTCYP2C19
SCHEMBL7446342 0.80 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPY1RMAPT
SCHEMBL13483741 0.78 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPY1RMAPT
SCHEMBL21323606 0.76 CCR1 (0.45) MEN1KMT2ASMN1; SMN2MAPTCYP2C19
SCHEMBL10309412 0.75 POLB (0.50) MEN1KMT2ASMN1; SMN2MAPTCYP1A2
SCHEMBL25196444 0.75 MAPT (0.59) MEN1KMT2ASMN1; SMN2NPY1RMAPT
SCHEMBL30492653 0.75 MAPT (0.59) MEN1KMT2ASMN1; SMN2NPY1RMAPT
SCHEMBL12066579 0.75 PRMT5 (0.45) MEN1KMT2ASMN1; SMN2L3MBTL1IDO1
SCHEMBL31426925 0.74 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPY1RMAPT
SCHEMBL25247441 0.74 MAPT (0.56) MEN1KMT2ASMN1; SMN2NPY1RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 — — EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 — — US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 — — EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 — — EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 — — US disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 — — US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 — — US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 — — US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 — — US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 — — US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 — — US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 — — US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 — — US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 — — US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 — — US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 — — US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 — — US disclosed
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 — — EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 — — WO disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 — — 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 (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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A MEN1 3391/4885KMT2A 273/4885SMN1; SMN2 2046/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN MEN1 3126/4885KMT2A 262/4885SMN1; SMN2 568/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A MEN1 2701/4885KMT2A 1967/4885SMN1; SMN2 1562/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN MEN1 3126/4885KMT2A 262/4885SMN1; SMN2 568/4885

“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.

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