SCHEMBL456358

SCHEMBL456358

COc1cc(C(=O)NC2CC2)ccc1B(O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALPL P05186 1/20 0.50
MCHR1 Q99705 1/20 0.49
HPGDS O60760 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
LRRK2 Q5S007 1/20 0.48

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
SCHEMBL2473674 0.85 MEN1 (0.65) MAPK14KMT2AMEN1ALPLMCHR1
Hydrochloric Acid SCHEMBL9639296 0.84 MEN1 (0.64) MAPK14KMT2AMEN1ALPLMCHR1
SCHEMBL2546256 0.81 MAPK14 (0.52) MAPK14KMT2AMEN1ALPLHPGDS
SCHEMBL3143526 0.79 KMT2A (0.74) KMT2AMEN1ALPLALDH1A1
Hydrochloric Acid SCHEMBL9639562 0.79 KMT2A (0.70) KMT2AMEN1ALPLMCHR1ALDH1A1
SCHEMBL11687058 0.79 KMT2A (0.74) KMT2AMEN1ALPLALDH1A1
SCHEMBL17758514 0.79 MAPK14 (0.56) MAPK14KMT2AMEN1ALPLHPGDS
Hydrochloric Acid SCHEMBL9639435 0.78 KMT2A (0.72) KMT2AMEN1ALPLALDH1A1
SCHEMBL27706504 0.78 ALDH1A1 (0.64) MAPK14KMT2AMEN1ALPLHPGDS
SCHEMBL458266 0.78 CA1 (0.67) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
EP-2576560-B1 SUBSTITUTED IMIDAZOPYRAZINES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
EP-2576560-B1 SUBSTITUTED IMIDAZOPYRAZINES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
US-20130210815-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 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 (2 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-20130210815-A1 SUBSTITUTED IMIDAZOPYRAZINES CYP3A5, CYP3A43, HRH2 MAPK14 4499/4885KMT2A 2221/4885MEN1 679/4885
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B MAPK14 646/4885KMT2A 3420/4885MEN1 864/4885

“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.