SCHEMBL807296

SCHEMBL807296

Nc1cc(N2CCCC2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
AKT1 P31749 1/20 0.47
HRH4 Q9H3N8 4/20 0.45
MAP4K4 O95819 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
DPP4 P27487 2/20 0.43
ELOVL1 Q9BW60 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
IP6K1 Q92551 1/20 0.41
BTK Q06187 2/20 0.41

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
SCHEMBL30579439 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1TSHRRECQLRAB9A
SCHEMBL5889085 0.98 SMN1; SMN2 (0.53) SMN1; SMN2NPC1TSHRRECQLRAB9A
SCHEMBL19004851 0.96 AKT1 (0.47) SMN1; SMN2NPC1TSHRRECQLRAB9A
SCHEMBL6803952 0.84 KDR (0.51) SMN1; SMN2NPC1TSHRRECQLRAB9A
SCHEMBL30828973 0.84 CYP2C19 (0.53) SMN1; SMN2NPC1JAK2JAK3ELOVL1
SCHEMBL26647473 0.84 CYP2C19 (0.53) SMN1; SMN2NPC1JAK2JAK3ELOVL1
SCHEMBL5889171 0.83 KDR (0.54) TSHRAKT1HRH4MAP4K4DPP4
SCHEMBL807666 0.82 CYP2C19 (0.58) SMN1; SMN2NPC1JAK2JAK3ELOVL1
SCHEMBL10831207 0.82 AKT1 (0.44) SMN1; SMN2NPC1TSHRRECQLRAB9A
SCHEMBL17623178 0.82 HRH4 (0.51) AKT1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Education, on behalf of the Univ of Nevada, Reno (US) 2019-08-08 US disclosed
US-10206903-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-02-19 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9980943-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEMS OF HIGHER EDUCATION ON BEHALF OF THE NEVADA, RENO (US) 2018-05-29 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-20170340606-A1 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2017-11-30 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 WO disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 WO disclosed
WO-2014144606-A2 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2014-09-18 WO disclosed
EP-2768509-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013041539-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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 (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-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885NPC1 2830/4885TSHR 2959/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885NPC1 3941/4885TSHR 1906/4885
US-10206903-B2 Methods of treating muscular dystrophy ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885NPC1 2830/4885TSHR 2959/4885
US-20170340606-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 SMN1; SMN2 22/4885NPC1 2830/4885TSHR 2959/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885NPC1 3941/4885TSHR 1906/4885

“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.