SCHEMBL420191

SCHEMBL420191

O=C1c2ccccc2C(=O)N1c1nn(-c2ccccc2)c2cccc(I)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 7/20 0.39
HTT P42858 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GRM5 P41594 1/20 0.37
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL419865 0.73 KDR (0.35) NR1H3L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL425392 0.72 SRC (0.40) L3MBTL1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL423584 0.70 KDR (0.41) L3MBTL1ALDH1A1HTTKDM4EKMT2A
SCHEMBL421786 0.68 PDPK1 (0.47) ALDH1A1HTTKDM4EKMT2AMAPT
SCHEMBL30367868 0.66 MAPK13 (0.35) L3MBTL1HTTUSP2KMT2AMAPT
SCHEMBL28218630 0.65 HSPA1A (0.67) NR1H3L3MBTL1ALDH1A1HTTKDM4E
N-Phenyl-Phthalimide SCHEMBL29819622 0.64 KMT2A (0.68) NR1H3ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL19773976 0.64 KMT2A (0.68) NR1H3ALDH1A1HTTKDM4ESMN1; SMN2
N-Phenyl-Phthalimide SCHEMBL123618 0.64 KMT2A (0.68) NR1H3ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL217577 0.64 POLB (0.34) NR1H3ALDH1A1HTTSMN1; SMN2KMT2A

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-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 NR1H3 3968/4885L3MBTL1 3653/4885ALDH1A1 2345/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NR1H3 3968/4885L3MBTL1 3653/4885ALDH1A1 2345/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NR1H3 3968/4885L3MBTL1 3653/4885ALDH1A1 2345/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK NR1H3 3968/4885L3MBTL1 3653/4885ALDH1A1 2345/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NR1H3 3968/4885L3MBTL1 3653/4885ALDH1A1 2345/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK NR1H3 3968/4885L3MBTL1 3653/4885ALDH1A1 2345/4885

“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.