SCHEMBL1849463

SCHEMBL1849463

c1cnc2[nH]c3cncnc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
PARP1 P09874 5/20 0.46
AURKA O14965 2/20 0.46
CHEK1 O14757 1/20 0.45
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
IKBKE Q14164 1/20 0.43
MAPK14 Q16539 1/20 0.41
GRM4 Q14833 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 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
SCHEMBL29992620 0.80 PARP1 (0.65) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL12590230 0.80 MAPK14 (0.36) CHEK1MAPK14GRM4METAP2METAP1
SCHEMBL1847464 0.80 PARP1 (0.65) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL12590239 0.79 GRM4 (0.48) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL473671 0.77 CHUK (0.63) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL12590234 0.77 CHUK (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12590228 0.77 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2391060 0.77 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31485825 0.77 CHUK (0.63) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL29475851 0.77 CHUK (0.63) MAPTGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9419231-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-08-16 US disclosed
US-9419231-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-08-16 US disclosed
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-12-24 US disclosed
US-20140027744-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-01-30 US disclosed
US-20140027744-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-01-30 US disclosed
EP-2324024-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 US disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 US disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
EP-2324024-A1 DIAZACARBAZOLES AND METHODS OF USE Genentech, Inc. (US) 2011-05-25 EP disclosed
WO-2009151589-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 US disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 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-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B MAPT 4332/4885GABRA1 1725/4885GABRG2 1785/4885
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME ICMT, ORAI2, ILK MAPT 234/4885GABRA1 4577/4885GABRG2 4575/4885
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B MAPT 4332/4885GABRA1 1725/4885GABRG2 1785/4885

“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.