SCHEMBL3569666

SCHEMBL3569666

CN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.67
ALDH1A1 P00352 7/20 0.55
MAPK1 P28482 2/20 0.55
SIRT6 Q8N6T7 2/20 0.54
POLB P06746 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.50
ADRB1 P08588 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29392067 0.92 MAPT (0.65) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL3567195 0.87 MAPT (0.69) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL15896472 0.84 MAPT (0.72) MAPTALDH1A1SIRT6POLBCYP2C9
SCHEMBL27881 0.82 MAPT (0.70) MAPTALDH1A1SIRT6POLBCYP2C9
SCHEMBL15893974 0.82 MAPT (0.69) MAPTALDH1A1SIRT6POLBCYP2C9
Dimethylformamide SCHEMBL27750426 0.82 MAPT (0.62) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL2719476 0.81 MAPT (0.68) MAPTALDH1A1SIRT6POLBCYP2C9
Hydrochloric Acid SCHEMBL3568158 0.81 MAPT (0.68) MAPTALDH1A1SIRT6POLBCYP2C9
SCHEMBL12074079 0.81 CYP46A1 (0.50) MAPTALDH1A1ADRB1
SCHEMBL596038 0.81 MAPT (1.00) MAPTALDH1A1SIRT6POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2018-08-21 US disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
WO-2012167733-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-12-13 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN MAPT 3903/4885ALDH1A1 3552/4885MAPK1 815/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 MAPT 4095/4885ALDH1A1 61/4885MAPK1 2206/4885
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors SYK, BTK, TYRO3 MAPT 4026/4885ALDH1A1 3272/4885MAPK1 934/4885
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN MAPT 3952/4885ALDH1A1 3037/4885MAPK1 468/4885

“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.