SCHEMBL3034183

SCHEMBL3034183

COc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.71
AURKA O14965 7/20 0.66
JAK2 O60674 7/20 0.66
JAK3 P52333 7/20 0.66
RET P07949 3/20 0.66
FLT3 P36888 3/20 0.66
IGF1R P08069 3/20 0.66
NTRK3 Q16288 2/20 0.66
NTRK2 Q16620 2/20 0.66
FGFR1 P11362 2/20 0.66
PTK2 Q05397 2/20 0.66
TNK2 Q07912 2/20 0.66
LCK P06239 2/20 0.66
FYN P06241 1/20 0.66
FLT1 P17948 1/20 0.66
LTK P29376 1/20 0.66
KDR P35968 1/20 0.66
CSNK1A1 P48729 1/20 0.66
CLK2 P49760 1/20 0.66
CDK7 P50613 1/20 0.66

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
SCHEMBL31060183 0.92 NTRK1 (0.73) NTRK1AURKAJAK2JAK3RET
SCHEMBL18281508 0.92 NTRK1 (0.73) NTRK1AURKAJAK2JAK3RET
SCHEMBL29434985 0.92 NTRK1 (0.73) NTRK1AURKAJAK2JAK3RET
SCHEMBL588730 0.92 NTRK1 (0.73) NTRK1AURKAJAK2JAK3RET
SCHEMBL220720 0.87 JAK2 (0.76) NTRK1AURKAJAK2JAK3RET
SCHEMBL3033142 0.87 NTRK1 (0.78) NTRK1AURKAJAK2JAK3RET
Phosphoric Acid SCHEMBL3041888 0.87 NTRK1 (0.66) NTRK1AURKAJAK2JAK3RET
SCHEMBL3950465 0.86 NTRK1 (0.53) NTRK1AURKAJAK2JAK3RET
Maleic Acid SCHEMBL4904780 0.85 NTRK1 (0.63) NTRK1AURKAJAK2JAK3RET
SCHEMBL4980070 0.84 JAK3 (0.55) NTRK1AURKAJAK2JAK3RET

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 2 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 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 156/4885JAK2 32/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 NTRK1 574/4885AURKA 156/4885JAK2 32/4885

“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.