SCHEMBL3338899

SCHEMBL3338899

Clc1ncc(Cl)c(Nc2cc(OCC3CC3)[nH]n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.42
NTRK1 P04629 7/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
FGFR1 P11362 2/20 0.37
KDR P35968 1/20 0.37
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
AURKA O14965 2/20 0.35
PLK4 O00444 2/20 0.35
PAK4 O96013 2/20 0.35
STK10 O94804 1/20 0.35
RET P07949 1/20 0.35
FER P16591 1/20 0.35
CSNK2A2 P19784 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
FLT3 P36888 1/20 0.35
STAT3 P40763 1/20 0.35
STAT5A P42229 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
SCHEMBL4073779 0.83 IGF1R (0.42) IGF1RNTRK1CCNA2CDK2FGFR1
SCHEMBL4076750 0.81 IGF1R (0.40) IGF1RNTRK1CCNA2CDK2FGFR1
SCHEMBL217676 0.80 JAK2 (0.42) IGF1RNTRK1CCNA2CDK2FGFR1
SCHEMBL14723478 0.80 PAK4 (0.42) IGF1RPAK4STK4STK3
SCHEMBL217976 0.80 JAK2 (0.39) IGF1RNTRK1FGFR1KDRJAK2
SCHEMBL4064443 0.77 NTRK1 (0.68) IGF1RNTRK1FGFR1KDRJAK2
SCHEMBL220024 0.77 JAK2 (0.47) IGF1RNTRK1FGFR1KDRJAK2
SCHEMBL219252 0.76 IGF1R (0.66) IGF1RNTRK1CCNA2CDK2
SCHEMBL4065430 0.75 JAK2 (0.44) IGF1RNTRK1FGFR1KDRJAK2
SCHEMBL218642 0.72 MEN1 (0.62) IGF1RNTRK1FGFR1KDRJAK2

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 IGF1R 133/4885NTRK1 7/4885CCNA2 2386/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK IGF1R 194/4885NTRK1 15/4885CCNA2 2162/4885

“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.