SCHEMBL3322938

SCHEMBL3322938

CC(=O)Nc1cccc(-c2cc3cc(NCc4ccccc4)cnc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.57
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
KIT P10721 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
TSHR P16473 1/20 0.46
PTGIR P43119 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
SCHEMBL3318931 0.90 KIT (0.52) BRAFALDH1A1MAPTKITMEN1
SCHEMBL3319441 0.87 ABL1 (0.59) BRAFKDM4EALDH1A1KITSMN1; SMN2
SCHEMBL5269648 0.85 KIT (0.56) KDM4EALDH1A1KITSMN1; SMN2MEN1
SCHEMBL2976833 0.84 MGLL (0.56) KITRAB9A
SCHEMBL3318626 0.83 KIT (0.54) KIT
SCHEMBL2986376 0.80 KIT (0.48) KDM4EALDH1A1MAPTKITSMN1; SMN2
SCHEMBL4465811 0.79 KIT (0.57) KITNPC1RAB9ATP53
SCHEMBL2984040 0.78 BTK (0.52) KITSMN1; SMN2NPC1RAB9ATP53
SCHEMBL4469526 0.77 MAPK1 (0.62) KITMEN1KMT2APOLB
SCHEMBL2986208 0.77 KIT (0.44) KDM4EALDH1A1KITSMN1; SMN2MEN1

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
CN-101208339-B Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE 2010-12-29 CN claimed
US-7776878-B2 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-08-17 US claimed
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2010-05-13 US claimed
CN-101208339-A Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN 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
CN-101208339-B Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE 2010-12-29 CN disclosed
US-7776878-B2 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-08-17 US disclosed
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2010-05-13 US disclosed
CN-101208339-A Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN 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 BRAF 2307/4885KDM4E 2148/4885ALDH1A1 2812/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 BRAF 2516/4885KDM4E 2148/4885ALDH1A1 1998/4885
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents CYP3A5, ABCB1, CYP3A43 BRAF 121/4885KDM4E 2149/4885ALDH1A1 74/4885

“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.