SCHEMBL3319441

SCHEMBL3319441

CC(=O)Nc1cccc(-c2cc3cc(NCc4ccccc4C)cnc3[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.59
SRC P12931 5/20 0.59
KIT P10721 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRAF P15056 2/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
P2RY14 Q15391 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
SCHEMBL3322150 0.90 ABL1 (0.61) ABL1SRCKITSMN1; SMN2NPC1
SCHEMBL3322938 0.87 BRAF (0.57) KITSMN1; SMN2NPC1TP53STAT1
SCHEMBL3319309 0.84 ABL1 (0.62) ABL1SRCKITSMN1; SMN2NPC1
SCHEMBL5269648 0.82 KIT (0.56) KITSMN1; SMN2NPC1TP53STAT1
SCHEMBL2986376 0.79 KIT (0.48) KITSMN1; SMN2NPC1TP53STAT1
SCHEMBL4476666 0.78 ABL1 (0.63) ABL1SRCKITSMN1; SMN2ALDH1A1
SCHEMBL3322959 0.78 ABL1 (0.56) ABL1SRCKITSMN1; SMN2NPC1
SCHEMBL2986377 0.77 BTK (0.60) ABL1SRCKITRAB9AALDH1A1
SCHEMBL3318931 0.77 KIT (0.52) ABL1SRCKITRAB9AMEN1
SCHEMBL4465811 0.77 KIT (0.57) ABL1SRCKITNPC1TP53

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 ABL1 698/4885SRC 1484/4885KIT 4462/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 ABL1 746/4885SRC 1586/4885KIT 4492/4885
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents CYP3A5, ABCB1, CYP3A43 ABL1 442/4885SRC 2766/4885KIT 555/4885

“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.