SCHEMBL4047052

SCHEMBL4047052

N#CCC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
CHRNB2 P17787 3/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
ALDH1A1 P00352 3/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HNF4A P41235 1/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42

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
SCHEMBL395494 0.82 MAPT (0.56) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7614948 0.79 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL4529250 0.79 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11309513 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL22445691 0.76 BCAT2 (0.62) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL16581129 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL30505632 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3876724 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL3420505 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9219604 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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-9969741-B2 Pyrazolotriazines as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2018-05-15 US disclosed
US-9969741-B2 Pyrazolotriazines as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2018-05-15 US disclosed
EP-2957562-B1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2017-12-20 EP disclosed
US-20170197966-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2017-07-13 US disclosed
US-20170197966-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2017-07-13 US disclosed
EP-2957562-A1 Pyrazolotriazines as inhibitors of nucleases Masarykova univerzita (CZ) 2015-12-23 EP disclosed
WO-2015192817-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2015-12-23 WO disclosed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US disclosed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US disclosed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 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 (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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 BCAT2 2154/4885MEN1 3112/4885KMT2A 512/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 BCAT2 2154/4885MEN1 3112/4885KMT2A 512/4885
US-20170197966-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES DNASE1, TDP1, RNASEH1 BCAT2 4330/4885MEN1 1412/4885KMT2A 930/4885

“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.