SCHEMBL846930

SCHEMBL846930

CC(=O)c1cccnc1Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.76
MEN1 O00255 11/20 0.74
KMT2A Q03164 11/20 0.74
MAPT P10636 7/20 0.74
ALDH1A1 P00352 4/20 0.74
GAA P10253 2/20 0.74
RAB9A P51151 6/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MAPK1 P28482 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 4/20 0.58
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
AHR P35869 1/20 0.57
LMNA P02545 3/20 0.55
PKM P14618 2/20 0.55
KDR P35968 1/20 0.52
GMNN O75496 1/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL16627429 0.87 MAPT (0.58) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL479877 0.86 DHODH (1.00) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL28816740 0.86 DHODH (0.81) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616643 0.86 DHODH (0.76) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616388 0.86 RAB9A (0.76) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL9075528 0.85 MEN1 (1.00) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL7281512 0.84 DHODH (0.71) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL479805 0.83 DHODH (0.76) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL13196213 0.83 DHODH (0.66) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616459 0.83 MEN1 (0.80) DHODHMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092928-A1 BENZONAPHTHYRIDINE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 진웅산업 2018-05-24 WO disclosed
EP-3243822-A1 SELENOPHENE DERIVATIVES AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR AND ELECTRONIC DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd (KR) 2017-11-15 EP disclosed
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 US disclosed
EP-2694480-B1 ADAMANTYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2694480-A1 ADAMANTYL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-02-12 EP disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
WO-2012136684-A1 ADAMANTYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-11 WO disclosed
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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 (3 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-20120258982-A1 ADAMANTYL COMPOUNDS MAP3K1, MAP3K6, MAPKAPK2 DHODH 3183/4885MEN1 3226/4885KMT2A 3602/4885
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 DHODH 637/4885MEN1 2511/4885KMT2A 2973/4885
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 DHODH 434/4885MEN1 4324/4885KMT2A 2156/4885

“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.