SCHEMBL12430684

SCHEMBL12430684

c1ccc(OCCNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.68
NTRK3 Q16288 1/20 0.64
NTRK2 Q16620 1/20 0.64
ULK1 O75385 4/20 0.61
IGF1R P08069 5/20 0.55
GSK3B P49841 3/20 0.55
PAK4 O96013 2/20 0.55
SRC P12931 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
DYRK3 O43781 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
MET P08581 1/20 0.55

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
Hydrochloric Acid SCHEMBL31471731 0.85 NTRK1 (0.72) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL12430677 0.85 NTRK1 (0.75) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL31471785 0.85 NTRK1 (0.75) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL22034770 0.85 NTRK1 (0.88) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL12430762 0.84 NTRK1 (0.59) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL12430704 0.83 NTRK1 (0.72) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL12430679 0.83 NTRK1 (0.64) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL2205064 0.83 NTRK1 (0.46) NTRK1NTRK3NTRK2ULK1
SCHEMBL12430678 0.83 NTRK1 (0.68) NTRK1NTRK3NTRK2ULK1IGF1R
SCHEMBL31471757 0.82 NTRK1 (0.79) NTRK1NTRK3NTRK2ULK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 US disclosed
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 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 (1 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-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA NTRK1 2111/4885NTRK3 712/4885NTRK2 1460/4885

“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.