SCHEMBL2203233

SCHEMBL2203233

c1ccc2c(Nc3cc(C4CC4)n[nH]3)nc(NCCC3CCCCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.46
GBA1 P04062 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
GRK6 P43250 2/20 0.42
NPY5R Q15761 2/20 0.42
ULK1 O75385 1/20 0.41
SOS1 Q07889 1/20 0.40
APP P05067 1/20 0.40
SLC2A1 P11166 1/20 0.39
AURKA O14965 1/20 0.39
PDE5A O76074 2/20 0.39
CXCR4 P61073 1/20 0.39

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 0.85 SLC2A1 (0.53) NTRK1NTRK3NTRK2GRK6APP
Benzene SCHEMBL27577366 0.84 BCHE (0.52) NTRK1NTRK3NTRK2GRK6ULK1
SCHEMBL2203633 0.83 NTRK1 (0.49) NTRK1NTRK3NTRK2GRK6APP
SCHEMBL2205064 0.83 NTRK1 (0.46) NTRK1GBA1NTRK3NTRK2GRK6
SCHEMBL12430678 0.83 NTRK1 (0.68) NTRK1NTRK3NTRK2GRK6ULK1
SCHEMBL2204246 0.80 ULK1 (0.57) NTRK1NPY5RULK1AURKAPDE5A
SCHEMBL27577367 0.79 NTRK1 (0.48) NTRK1NTRK3NTRK2PDE5A
SCHEMBL2206518 0.79 NTRK1 (0.51) NTRK1NTRK3NTRK2APPPDE5A
SCHEMBL2203822 0.78 MEN1 (0.52) NTRK1GBA1GRK6NPY5RSOS1
SCHEMBL3547401 0.77 PDE5A (0.46) NPY5RAPPPDE5A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1486312-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-03-31 CN claimed
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 US 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
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

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 NTRK1 2887/4885GBA1 822/4885NTRK3 2460/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 NTRK1 2809/4885GBA1 1148/4885NTRK3 2499/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B NTRK1 2505/4885GBA1 4498/4885NTRK3 1485/4885

“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.