SCHEMBL3036561

SCHEMBL3036561

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Br)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.58
JAK3 P52333 7/20 0.58
NTRK1 P04629 9/20 0.57
IGF1R P08069 6/20 0.57
AURKA O14965 5/20 0.57
NTRK3 Q16288 2/20 0.57
NTRK2 Q16620 2/20 0.57
LCK P06239 2/20 0.57
RET P07949 2/20 0.57
FLT3 P36888 2/20 0.57
FYN P06241 1/20 0.57
FGFR1 P11362 1/20 0.57
FLT1 P17948 1/20 0.57
LTK P29376 1/20 0.57
KDR P35968 1/20 0.57
CSNK1A1 P48729 1/20 0.57
CLK2 P49760 1/20 0.57
CDK7 P50613 1/20 0.57
CDK9 P50750 1/20 0.57
CDK5 Q00535 1/20 0.57

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
SCHEMBL3041951 0.91 NTRK1 (0.69) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL18281508 0.89 NTRK1 (0.73) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL31060183 0.89 NTRK1 (0.73) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL29434985 0.89 NTRK1 (0.73) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL588730 0.89 NTRK1 (0.73) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL3349448 0.88 JAK2 (0.75) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL3034830 0.85 JAK2 (0.58) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL588783 0.85 JAK3 (0.57) JAK2JAK3NTRK1IGF1RAURKA
SCHEMBL589659 0.84 NTRK1 (0.56) JAK2JAK3NTRK1IGF1RAURKA
Phosphoric Acid SCHEMBL3041888 0.84 NTRK1 (0.66) JAK2JAK3NTRK1IGF1RAURKA

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-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US claimed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US claimed
US-20080108633-A1 Use 540 ASTRAZENECA AB (SE) 2008-05-08 US claimed
US-20080108633-A1 Use 540 ASTRAZENECA AB (SE) 2008-05-08 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 JAK2 32/4885JAK3 73/4885NTRK1 574/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 JAK2 32/4885JAK3 73/4885NTRK1 574/4885

“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.