SCHEMBL588638

SCHEMBL588638

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(OC[C@@H](O)CO)c2F)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.55
AURKA O14965 5/20 0.48
GRK6 P43250 3/20 0.48
IGF1R P08069 3/20 0.48
GRK4 P32298 1/20 0.48
GRK5 P34947 1/20 0.48
GRK1 Q15835 1/20 0.48
GRK7 Q8WTQ7 1/20 0.48
JAK3 P52333 11/20 0.47
JAK2 O60674 11/20 0.47
NTRK3 Q16288 2/20 0.47
NTRK2 Q16620 2/20 0.47
LCK P06239 2/20 0.47
RET P07949 2/20 0.47
FLT3 P36888 2/20 0.47
FYN P06241 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL589536 0.93 NTRK1 (0.62) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL589535 0.93 NTRK1 (0.62) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL589089 0.90 NTRK1 (0.65) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL589107 0.84 NTRK1 (0.77) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL589106 0.84 NTRK1 (0.77) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL589432 0.84 NTRK1 (0.76) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL589431 0.84 NTRK1 (0.76) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL588783 0.82 JAK3 (0.57) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL588554 0.82 NTRK1 (0.60) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL588553 0.82 NTRK1 (0.60) NTRK1AURKAGRK6IGF1RGRK4

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-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US claimed
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 NTRK1 574/4885AURKA 156/4885GRK6 291/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 NTRK1 574/4885AURKA 156/4885GRK6 291/4885

“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.