SCHEMBL4890604

SCHEMBL4890604

CC(C)Oc1cc(Nc2ncc(Cl)c(N[C@@H](CO)c3ccc(F)cc3)n2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.60
AURKA O14965 4/20 0.45
NTRK3 Q16288 2/20 0.45
NTRK2 Q16620 2/20 0.45
JAK2 O60674 2/20 0.45
RET P07949 2/20 0.45
FGFR1 P11362 2/20 0.45
FLT3 P36888 2/20 0.45
JAK3 P52333 2/20 0.45
PTK2 Q05397 2/20 0.45
TNK2 Q07912 2/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
IGF1R P08069 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CLK2 P49760 1/20 0.45
CDK7 P50613 1/20 0.45

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
SCHEMBL4065652 0.86 NTRK1 (0.56) NTRK1JAK2JAK3
SCHEMBL4618549 0.86 NTRK1 (0.67) NTRK1AURKAJAK2RETFGFR1
SCHEMBL23808896 0.83 NTRK1 (0.75) NTRK1AURKANTRK3NTRK2JAK2
SCHEMBL4068254 0.82 NTRK1 (0.64) NTRK1AURKA
SCHEMBL4891282 0.81 NTRK1 (0.88) NTRK1IGF1R
SCHEMBL3340493 0.80 NTRK1 (0.80) NTRK1AURKANTRK3NTRK2JAK2
SCHEMBL23217067 0.80 NTRK1 (0.80) NTRK1AURKANTRK3NTRK2JAK2
SCHEMBL29794572 0.80 NTRK1 (0.80) NTRK1AURKANTRK3NTRK2JAK2
SCHEMBL4696871 0.78 NTRK1 (0.43) NTRK1AURKAJAK2JAK3CDK9
SCHEMBL4071538 0.78 NTRK1 (0.73) NTRK1AURKAJAK2RETFGFR1

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-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer ASTRAZENECA (SE) 2008-08-14 US claimed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 NTRK1 4690/4885AURKA 1305/4885NTRK3 4001/4885
US-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer TYMS, TYMP, DPYD NTRK1 4196/4885AURKA 35/4885NTRK3 2519/4885

“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.