SCHEMBL422410

SCHEMBL422410

CC1(C)OB(c2ccc(NC(=O)Nc3ccccc3F)cc2)OC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.59
RAB9A P51151 10/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HTT P42858 4/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 4/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
KDM4E B2RXH2 1/20 0.55
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA12 O43570 1/20 0.52
CYP1A2 P05177 1/20 0.52
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51

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
SCHEMBL424779 0.85 MEN1 (0.58) NPC1RAB9AHTTPOLBMAPT
SCHEMBL423204 0.85 PDGFRB (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL29375102 0.84 KDR (0.69) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL58763 0.84 KDR (0.69) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL422455 0.84 LPL (0.61) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL25984541 0.83 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL421361 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL3666256 0.83 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL420363 0.82 CA1 (0.58) NPC1RAB9AHTTMAPTMEN1
SCHEMBL14942871 0.82 CA1 (0.53) NPC1RAB9ASMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748989-B Diaryl urea compound with anti-tumor activity and preparation method and application thereof 西安交通大学 2020-03-17 CN disclosed
CN-106748991-B Diaryl urea compound with anti-tumor activity and preparation method and application thereof 西安交通大学 2020-03-17 CN disclosed
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 NPC1 2740/4885RAB9A 3002/4885SMN1; SMN2 4807/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NPC1 2740/4885RAB9A 3002/4885SMN1; SMN2 4807/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NPC1 2740/4885RAB9A 3002/4885SMN1; SMN2 4807/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK NPC1 2740/4885RAB9A 3002/4885SMN1; SMN2 4807/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NPC1 2740/4885RAB9A 3002/4885SMN1; SMN2 4807/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NPC1 2740/4885RAB9A 3002/4885SMN1; 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.