SCHEMBL3528649

SCHEMBL3528649

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
NR4A2 P43354 1/20 0.45
BRPF1 P55201 2/20 0.43
BRD4 O60885 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
S1PR2 O95136 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CREBBP Q92793 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2C P28335 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL92336 0.81 MEN1 (0.55) MEN1KMT2AMAPTPOLBNR4A2
SCHEMBL2326416 0.80 LCK (0.50) MAPT
SCHEMBL4823716 0.80 MEN1 (0.63) MEN1KMT2AMAPTNR4A2ALDH1A1
SCHEMBL2328721 0.79 KDM4E (0.49) MAPTBRPF1BRD4ALDH1A1SMN1; SMN2
SCHEMBL3535093 0.78 LCK (0.44) MEN1KMT2AMAPTSMN1; SMN2CREBBP
SCHEMBL2323832 0.77 KDM4E (0.46) KMT2AMAPTPOLBBRPF1BRD4
SCHEMBL2323655 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5804138 0.77 MEN1 (0.59) MEN1KMT2AMAPTNR4A2ALDH1A1
SCHEMBL14626962 0.76 POLB (0.63) MEN1KMT2AMAPTPOLBNR4A2
SCHEMBL72352 0.76 POLB (0.61) MEN1KMT2AMAPTPOLBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 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 (5 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-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 MEN1 2198/4885KMT2A 1067/4885MAPT 1332/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MEN1 2197/4885KMT2A 1305/4885MAPT 2008/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MEN1 2197/4885KMT2A 1305/4885MAPT 2008/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MEN1 2197/4885KMT2A 1305/4885MAPT 2008/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MEN1 2197/4885KMT2A 1305/4885MAPT 2008/4885

“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.