SCHEMBL3339748

SCHEMBL3339748

Fc1ccc2nc(Cl)nc(Nc3cc(C4CC4)n[nH]3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
PAK4 O96013 2/20 0.38
PAK1 Q13153 2/20 0.38
GSK3B P49841 2/20 0.36
SRC P12931 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
JAK2 O60674 1/20 0.35
GSK3A P49840 1/20 0.35

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
SCHEMBL3340680 0.91 NTRK1 (0.42) NTRK1GABBR2GABBR1NTRK3NTRK2
SCHEMBL1164979 0.89 PAK4 (0.46) NTRK1PAK4PAK1GSK3BSRC
SCHEMBL3767642 0.87 PAK4 (0.36) NTRK1GABBR2GABBR1PAK4PAK1
SCHEMBL2207310 0.85 APP (0.46) NTRK1PAK4PAK1GSK3BSRC
SCHEMBL3768199 0.82 KDM4E (0.39) PAK4PAK1
SCHEMBL3763330 0.82 CLK4 (0.45) GABBR2GABBR1PAK1GSK3BSRC
SCHEMBL3547401 0.81 PDE5A (0.46)
SCHEMBL3755800 0.78 DRD2 (0.31) PAK4PAK1
SCHEMBL4517729 0.76 PAK1 (0.44) PAK4PAK1GSK3BNTRK2JAK2
SCHEMBL4068340 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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 (2 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885GABBR2 579/4885GABBR1 489/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NTRK1 15/4885GABBR2 633/4885GABBR1 520/4885

“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.