SCHEMBL2012149

SCHEMBL2012149

c1ccc(Nc2ccc[nH]2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
CDC25B P30305 1/20 0.46
CASP6 P55212 1/20 0.46
RCE1 Q9Y256 1/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
KDR P35968 5/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 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
SCHEMBL418501 0.78 AXL (0.38) MEN1KMT2AADRA2AADRA2CKDR
SCHEMBL221242 0.76 KMT2A (0.76) MEN1KMT2AMAPK10GFERADRA2A
SCHEMBL29391624 0.76 KMT2A (0.76) MEN1KMT2AMAPK10GFERADRA2A
SCHEMBL10972199 0.76 GOT1 (0.47)
SCHEMBL8596239 0.74 ADRA2A (0.58) MEN1KMT2AMAPK10GFERAPAF1
SCHEMBL7748839 0.74 MEN1 (0.50) MEN1KMT2AMAPK10GFERAPAF1
SCHEMBL6574416 0.74 KMT2A (0.73) MEN1KMT2AMAPK10GFERADRA2A
SCHEMBL11133606 0.74 KMT2A (0.73) MEN1KMT2AMAPK10GFERADRA2A
SCHEMBL6175584 0.74 KMT2A (0.73) MEN1KMT2AMAPK10GFERADRA2A
SCHEMBL4243882 0.74 KMT2A (0.73) MEN1KMT2AMAPK10GFERADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2712000-B1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2017-02-15 EP disclosed
US-20160043332-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-11 US disclosed
US-20160043332-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-11 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9024026-B2 Copper (I) complexes for optoelectronic devices CYNORA GMBH (DE) 2015-05-05 US disclosed
US-9024026-B2 Copper (I) complexes for optoelectronic devices CYNORA GMBH (DE) 2015-05-05 US disclosed
US-8835021-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-09-16 US disclosed
US-8835021-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-09-16 US disclosed
US-20130299744-A1 METAL COMPLEXES HAVING ADAPTABLE EMISSION COLORS FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-11-14 US disclosed
US-20130299744-A1 METAL COMPLEXES HAVING ADAPTABLE EMISSION COLORS FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-11-14 US disclosed
US-20130150581-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-06-13 US disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-20110155954-A1 Materials for Organic Electroluminescence Devices MERCK PATENT GMBH (DE) 2011-06-30 US disclosed
US-20110155954-A1 Materials for Organic Electroluminescence Devices MERCK PATENT GMBH (DE) 2011-06-30 US disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 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-20160043332-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SOD1, AOC1, NCS1 MEN1 421/4885KMT2A 2329/4885MAPK10 802/4885
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 MEN1 249/4885KMT2A 3201/4885MAPK10 333/4885
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP MEN1 4876/4885KMT2A 3844/4885MAPK10 2996/4885
US-20110155954-A1 Materials for Organic Electroluminescence Devices NCS1, L1CAM, CD274 MEN1 449/4885KMT2A 2510/4885MAPK10 1078/4885

“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.