SCHEMBL2206804

SCHEMBL2206804

c1ccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.68
AURKA O14965 1/20 0.60
SRC P12931 1/20 0.60
GSK3B P49841 1/20 0.60
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TRPA1 O75762 1/20 0.54
FADS1 O60427 2/20 0.53
SLC2A1 P11166 1/20 0.51
MERTK Q12866 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2204708 0.88 MERTK (0.60) NPY5RAURKASRCGSK3BTRPA1
SCHEMBL2205542 0.88 ABCG2 (0.54) NPY5RAURKASRCGSK3BTRPA1
SCHEMBL31471806 0.85 NPY5R (0.49) NPY5RAURKASRCGSK3BPOLB
SCHEMBL2207573 0.85 NPY5R (0.49) NPY5RAURKASRCGSK3BPOLB
SCHEMBL2203927 0.85 ABCG2 (0.56) NPY5RAURKASRCGSK3BHTT
SCHEMBL2203940 0.83 SLC2A1 (0.65) AURKASRCGSK3BHTTSMN1; SMN2
SCHEMBL2203548 0.83 RAD52 (0.60) NPY5RAURKASRCGSK3BHTT
SCHEMBL3760902 0.82 GRM4 (0.46) NPY5RAURKASRCGSK3BTRPA1
SCHEMBL2591063 0.82 NPY5R (1.00) NPY5RAURKASRCGSK3BPOLB
SCHEMBL29882003 0.82 TRPA1 (0.75) AURKATRPA1FADS1KDM4E

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 57 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-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 US disclosed
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 US disclosed
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 US disclosed
WO-2002066461-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-29 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 (5 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 NPY5R 354/4885AURKA 2/4885SRC 732/4885
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 NPY5R 4499/4885AURKA 1018/4885SRC 1484/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 NPY5R 4641/4885AURKA 1514/4885SRC 1586/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B NPY5R 1431/4885AURKA 2/4885SRC 643/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B NPY5R 968/4885AURKA 2/4885SRC 419/4885

“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.