SCHEMBL2563228

SCHEMBL2563228

CC(C)(C)C(=O)n1cccc1B(O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RIPK1 Q13546 10/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL69996 0.77 HSP90AA1 (0.44) KMT2AMEN1
SCHEMBL378640 0.76 CA4 (0.32)
SCHEMBL29296505 0.73 KMT2A (0.37) KMT2AMEN1RIPK1ELANEKDM4E
SCHEMBL29296514 0.73 KMT2A (0.37) KMT2AMEN1RIPK1ELANEKDM4E
SCHEMBL4706496 0.70 BCHE (0.49) KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL29296516 0.69 PGR (0.38) KMT2AMEN1RIPK1ELANE
SCHEMBL4438414 0.69 MEN1 (0.34) KMT2AMEN1RIPK1ELANE
SCHEMBL28601101 0.69 MEN1 (0.34) KMT2AMEN1RIPK1ELANEHPGD
SCHEMBL19396390 0.67 RAB9A (0.34) KMT2AMEN1RIPK1ELANEKDM4E
SCHEMBL8269671 0.66 HSP90AA1 (0.43) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20050261331-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-11-24 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1539757-A1 SUBSTITUTED PYRROLOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016609-A1 SUBSTITUTED PYRROLOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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-20050261331-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 KMT2A 2562/4885MEN1 4068/4885RIPK1 529/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 KMT2A 1527/4885MEN1 4075/4885RIPK1 949/4885

“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.