SCHEMBL2203633

SCHEMBL2203633

c1ccc(CCCNc2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.49
IGF1R P08069 1/20 0.49
SLC2A1 P11166 2/20 0.47
APP P05067 5/20 0.46
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
AURKA O14965 1/20 0.46
GRK6 P43250 1/20 0.46
CASP6 P55212 1/20 0.45
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
RAD52 P43351 1/20 0.44
KDM1A O60341 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
UBE2N P61088 1/20 0.43

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
SCHEMBL6045486 0.94 SLC2A1 (0.53) NTRK1IGF1RSLC2A1APPBCHE
Benzene SCHEMBL27577366 0.85 BCHE (0.52) NTRK1APPBCHEACHEGRK6
SCHEMBL2206518 0.83 NTRK1 (0.51) NTRK1IGF1RAPPBCHEACHE
SCHEMBL2203233 0.83 NTRK1 (0.46) NTRK1SLC2A1APPAURKAGRK6
SCHEMBL2205064 0.83 NTRK1 (0.46) NTRK1APPBCHEACHEAURKA
SCHEMBL12430704 0.82 NTRK1 (0.72) NTRK1IGF1RAURKAGRK6NTRK3
SCHEMBL2204246 0.81 ULK1 (0.57) NTRK1AURKA
SCHEMBL2200909 0.81 ULK1 (0.51) NTRK1SLC2A1AURKAKDM4EALDH1A1
SCHEMBL2204494 0.81 ULK1 (0.51) NTRK1AURKAGRK6
SCHEMBL27577367 0.80 NTRK1 (0.48) NTRK1IGF1RNTRK3NTRK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4160389-B2 2008-10-01 JP 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
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
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 US disclosed
EP-2264028-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-22 EP 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-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-2002062789-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-15 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

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 NTRK1 3256/4885IGF1R 462/4885SLC2A1 3266/4885
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 NTRK1 2887/4885IGF1R 2397/4885SLC2A1 3804/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 NTRK1 2809/4885IGF1R 1649/4885SLC2A1 3563/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B NTRK1 2505/4885IGF1R 450/4885SLC2A1 3334/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B NTRK1 2375/4885IGF1R 681/4885SLC2A1 3972/4885

“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.