SCHEMBL3338809

SCHEMBL3338809

CCOc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc(NC[C@@H](O)CO)c2Cl)[nH]n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.69
JAK2 O60674 3/20 0.43
JAK3 P52333 2/20 0.43
AURKA O14965 2/20 0.42
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
KCNH2 Q12809 2/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL4072619 0.91 NTRK1 (0.80) NTRK1JAK2JAK3AURKANTRK3
SCHEMBL4070199 0.84 NTRK1 (0.75) NTRK1JAK2JAK3AURKANTRK3
SCHEMBL4076742 0.84 NTRK1 (0.76) NTRK1GRK6
SCHEMBL4155679 0.78 NTRK1 (1.00) NTRK1JAK2JAK3
SCHEMBL4074781 0.76 NTRK1 (0.65) NTRK1AURKAGRK6
SCHEMBL4069542 0.76 NTRK1 (0.64) NTRK1AURKAGRK6
SCHEMBL4068935 0.75 NTRK1 (0.64) NTRK1
SCHEMBL4071059 0.75 NTRK1 (0.64) NTRK1
SCHEMBL4068018 0.75 NTRK1 (0.64) NTRK1
SCHEMBL4065930 0.75 NTRK1 (0.86) NTRK1JAK2JAK3AURKANTRK3

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 4 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-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

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.