SCHEMBL2203333

SCHEMBL2203333

Cc1cc(Nc2nc(Nc3ccc(N)cc3)nc3ccccc23)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.59
NPY5R Q15761 8/20 0.58
AURKA O14965 1/20 0.57
SRC P12931 1/20 0.57
GSK3B P49841 1/20 0.57
MERTK Q12866 3/20 0.53
SLC2A1 P11166 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
PGK1 P00558 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2206853 0.92 AURKA (0.66) ULK1NPY5RAURKASRCGSK3B
SCHEMBL2203034 0.90 NPY5R (0.67) ULK1NPY5RAURKASRCGSK3B
SCHEMBL2204880 0.89 AURKA (0.57) ULK1NPY5RAURKASRCGSK3B
SCHEMBL2203848 0.86 SLC2A1 (0.59) NPY5RAURKASRCGSK3BSLC2A1
SCHEMBL2205788 0.86 NTRK1 (0.55) ULK1NPY5RAURKASRCGSK3B
SCHEMBL2204377 0.85 MAPT (0.54) NPY5RAURKASRCGSK3BKMT2A
SCHEMBL2206481 0.84 SLC2A1 (0.57) NPY5RAURKASRCGSK3BSLC2A1
SCHEMBL2202935 0.83 AURKA (0.56) NPY5RAURKASRCGSK3BNPC1
SCHEMBL2203536 0.83 GSK3B (0.56) NPY5RAURKASRCGSK3BSLC2A1
SCHEMBL2207564 0.83 AURKA (0.51) NPY5RAURKASRCGSK3BSLC2A1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4160389-B2 2008-10-01 JP claimed
CN-100340555-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-10-03 CN claimed
EP-1345925-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 EP claimed
US-6989385-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-24 US claimed
JP-2004516291-A 2004-06-03 JP claimed
CN-1486312-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-03-31 CN claimed
EP-1345925-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 EP claimed
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 US claimed
WO-2002050065-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 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
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 US disclosed
WO-2002068415-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-09-06 WO disclosed
WO-2002066461-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-29 WO disclosed
WO-2002059111-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-01 WO disclosed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 WO disclosed
WO-2002050065-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 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 (4 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-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP ULK1 631/4885NPY5R 354/4885AURKA 2/4885
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 ULK1 986/4885NPY5R 4499/4885AURKA 1018/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 ULK1 871/4885NPY5R 4641/4885AURKA 1514/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ULK1 764/4885NPY5R 1431/4885AURKA 2/4885

“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.