SCHEMBL420518

SCHEMBL420518

Cc1cccc(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
KDR P35968 4/20 0.48
PDGFRB P09619 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 1/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 1/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
KIT P10721 1/20 0.44

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
SCHEMBL29742188 0.89 NPC1 (0.52) KMT2AMEN1LMNAMAPTKDR
SCHEMBL28948777 0.89 NPC1 (0.52) KMT2AMEN1LMNAMAPTKDR
SCHEMBL424036 0.87 MEN1 (0.54) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL59298 0.85 KMT2A (0.54) KMT2AMEN1LMNAMAPTKDR
SCHEMBL59102 0.84 SMN1; SMN2 (0.46) SAE1UBA2KMT2AMEN1LMNA
SCHEMBL12290584 0.84 ALDH1A1 (0.40) KMT2AMEN1LMNAMAPTKDR
SCHEMBL3726907 0.83 CXCR2 (0.41) KMT2AKDRPDGFRBSMN1; SMN2NPC1
SCHEMBL423956 0.83 PDGFRB (0.58) SAE1UBA2KMT2AMEN1LMNA
SCHEMBL423849 0.81 PDGFRB (0.54) SAE1UBA2KMT2AMEN1MAPT
SCHEMBL5918956 0.81 HDAC1 (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940778-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2015-01-27 US disclosed
US-8642776-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2014-02-04 US disclosed
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC (US) 2013-09-19 US disclosed
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. (US) 2013-01-31 US disclosed
US-8299243-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2012-10-30 US disclosed
EP-2246333-B1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2012-10-24 EP disclosed
US-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8063091-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-22 US disclosed
EP-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 EP disclosed
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
US-7598283-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. 2008-03-27 US disclosed
US-7297709-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2007-11-20 US disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 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 (6 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-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SAE1 4084/4885UBA2 3745/4885KMT2A 1422/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SAE1 4084/4885UBA2 3745/4885KMT2A 1422/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SAE1 4084/4885UBA2 3745/4885KMT2A 1422/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK SAE1 4084/4885UBA2 3745/4885KMT2A 1422/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SAE1 4084/4885UBA2 3745/4885KMT2A 1422/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SAE1 4084/4885UBA2 3745/4885KMT2A 1422/4885

“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.