SCHEMBL4471218

SCHEMBL4471218

Cc1cccc(Cl)c1C(=O)Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.59
SRC P12931 2/20 0.59
TYK2 P29597 1/20 0.49
NR2E3 Q9Y5X4 3/20 0.48
KIT P10721 4/20 0.47
KMT2A Q03164 1/20 0.44
KDR P35968 2/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGA2 P17301 1/20 0.43
ITGB7 P26010 1/20 0.43
PTGES O14684 1/20 0.42
MAPT P10636 3/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4472721 0.84 NR2E3 (0.59) NR2E3KDR
SCHEMBL4487409 0.82 ABL1 (0.68) ABL1SRCTYK2KIT
SCHEMBL2988212 0.81 KIT (0.47) KITKMT2AKDRMAPTMMP2
SCHEMBL4487422 0.80 MMP2 (0.58) NR2E3KITKMT2AKDRMAPT
SCHEMBL15824977 0.79 KIT (0.51) NR2E3KITKDRMAPTMMP2
SCHEMBL4475195 0.78 NR2E3 (0.66) NR2E3KMT2AKDRMAPTTP53
SCHEMBL4466225 0.78 NR2E3 (0.57) NR2E3KMT2AKDRMMP2MMP9
SCHEMBL1136430 0.78 NR2E3 (0.47) NR2E3KITKDRMAPTKDM4E
SCHEMBL1136406 0.78 BLK (0.48) ABL1SRCNR2E3KITKDR
SCHEMBL15825457 0.77 KIT (0.53) ABL1KITKMT2AKDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US claimed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US claimed
CN-101087787-A Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-12-12 CN claimed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP claimed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-07-02 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
CN-101087787-A Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-12-12 CN disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO 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 (3 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-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF WHR1, AIPL1, TDP1 ABL1 698/4885SRC 1484/4885TYK2 1784/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 ABL1 746/4885SRC 1586/4885TYK2 2470/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 ABL1 862/4885SRC 3570/4885TYK2 4257/4885

“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.