SCHEMBL422940

SCHEMBL422940

COCOc1cc(Br)ccc1NC(=O)Nc1cc(C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
LPAR1 Q92633 1/20 0.42
KDR P35968 5/20 0.42
PDGFRB P09619 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FLT3 P36888 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL420139 0.78 SMN1; SMN2 (0.54) RAB9AMAPTSMN1; SMN2NPC1PKM
SCHEMBL420574 0.78 RAB9A (0.53) RAB9AMAPTSMN1; SMN2NPC1PKM
SCHEMBL422553 0.73 KDR (0.70) KDRPDGFRBFLT3
SCHEMBL981866 0.72 CYP3A4 (0.39) MAPTHTTTSHRKDRL3MBTL1
SCHEMBL420728 0.72 MEN1 (0.56) RAB9AMAPTSMN1; SMN2NPC1PKM
SCHEMBL4827923 0.70 HPGD (0.70) RAB9AMAPTSMN1; SMN2NPC1PKM
SCHEMBL12824892 0.69 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1PKM
SCHEMBL15074664 0.68 LMNA (0.66) RAB9AMAPTSMN1; SMN2NPC1PKM
SCHEMBL15255300 0.68 ACHE (0.42) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL31078318 0.68 LMNA (0.62) RAB9AMAPTSMN1; SMN2NPC1MEN1

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-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-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 EP 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 RAB9A 3002/4885MAPT 1484/4885SMN1; SMN2 4807/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK RAB9A 3002/4885MAPT 1484/4885SMN1; SMN2 4807/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK RAB9A 3002/4885MAPT 1484/4885SMN1; SMN2 4807/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK RAB9A 3002/4885MAPT 1484/4885SMN1; SMN2 4807/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK RAB9A 3002/4885MAPT 1484/4885SMN1; SMN2 4807/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK RAB9A 3002/4885MAPT 1484/4885SMN1; SMN2 4807/4885

“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.