SCHEMBL588686

SCHEMBL588686

Cc1cc(Nc2cc(Cl)nc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.68
JAK2 O60674 13/20 0.68
NTRK1 P04629 6/20 0.60
CDK2 P24941 3/20 0.60
AURKB Q96GD4 3/20 0.60
RET P07949 2/20 0.60
FLT3 P36888 2/20 0.60
PTK2B Q14289 2/20 0.60
MUSK O15146 1/20 0.60
LCK P06239 1/20 0.60
FGFR3 P22607 1/20 0.60
CCNE1 P24864 1/20 0.60
STAT5B P51692 1/20 0.59
AURKA O14965 4/20 0.55
PLK4 O00444 1/20 0.55
STK10 O94804 1/20 0.55
PAK4 O96013 1/20 0.55
FGFR1 P11362 1/20 0.55
FER P16591 1/20 0.55
CSNK2A2 P19784 1/20 0.55

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
SCHEMBL4983768 0.92 JAK3 (0.68) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL3950465 0.87 NTRK1 (0.53) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL220867 0.86 JAK2 (0.72) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL3338612 0.85 NTRK1 (0.69) JAK3JAK2NTRK1AURKBRET
SCHEMBL3033142 0.85 NTRK1 (0.78) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL14041435 0.81 JAK2 (1.00) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL2335570 0.80 KCNH2 (0.68) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL3670155 0.80 KCNH2 (0.68) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL14041700 0.79 JAK2 (1.00) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL3424084 0.78 JAK3 (1.00) JAK3JAK2NTRK1CDK2AURKB

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-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 JAK3 73/4885JAK2 32/4885NTRK1 574/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 JAK3 73/4885JAK2 32/4885NTRK1 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.