SCHEMBL3335945

SCHEMBL3335945

Cc1cc(Nc2nc(NC(C)c3cccnc3)ncc2Cl)n[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.72
JAK2 O60674 6/20 0.64
JAK3 P52333 6/20 0.64
FGFR1 P11362 4/20 0.64
AURKA O14965 2/20 0.64
PLK4 O00444 1/20 0.64
STK10 O94804 1/20 0.64
PAK4 O96013 1/20 0.64
RET P07949 1/20 0.64
FER P16591 1/20 0.64
CSNK2A2 P19784 1/20 0.64
JAK1 P23458 1/20 0.64
TYK2 P29597 1/20 0.64
FLT3 P36888 1/20 0.64
STAT3 P40763 1/20 0.64
STAT5A P42229 1/20 0.64
CDK3 Q00526 1/20 0.64
PTK2 Q05397 1/20 0.64
TNK2 Q07912 1/20 0.64
STK4 Q13043 1/20 0.64

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
SCHEMBL5799483 0.89 NTRK1 (0.57) NTRK1JAK2JAK3FGFR1AURKA
SCHEMBL3338201 0.88 NTRK1 (0.59) NTRK1JAK2JAK3FGFR1AURKA
SCHEMBL3338356 0.88 JAK2 (0.64) NTRK1JAK2JAK3FGFR1IGF1R
SCHEMBL4076083 0.84 NTRK1 (1.00) NTRK1JAK2JAK3FGFR1AURKA
SCHEMBL4034569 0.81 IGF1R (0.66) NTRK1JAK2JAK3FGFR1AURKA
SCHEMBL18853845 0.80 JAK2 (0.84) NTRK1JAK2JAK3FGFR1AURKA
Azd-1480 SCHEMBL220400 0.78 JAK2 (1.00) NTRK1JAK2JAK3FGFR1AURKA
Azd-1480 SCHEMBL219103 0.78 JAK2 (1.00) NTRK1JAK2JAK3FGFR1AURKA
Azd-1480 SCHEMBL29523565 0.78 JAK2 (1.00) NTRK1JAK2JAK3FGFR1AURKA
Azd-1480 SCHEMBL3345019 0.78 JAK2 (1.00) NTRK1JAK2JAK3FGFR1AURKA

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US claimed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US claimed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 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 (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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885JAK2 179/4885JAK3 215/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NTRK1 15/4885JAK2 144/4885JAK3 166/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885JAK2 1971/4885JAK3 1598/4885

“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.