Sugi Predict

Sugi Predict / Compounds / SCHEMBL3033143

SCHEMBL3033143

SCHEMBL3033143

C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cc1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.75
▸ JAK2 O60674 2/20 0.69
▸ AURKA O14965 2/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ STK10 O94804 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ RET P07949 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ FER P16591 1/20 0.57
▸ CSNK2A2 P19784 1/20 0.57
▸ JAK1 P23458 1/20 0.57
▸ TYK2 P29597 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ STAT3 P40763 1/20 0.57
▸ STAT5A P42229 1/20 0.57
▸ JAK3 P52333 1/20 0.57
▸ CDK3 Q00526 1/20 0.57
▸ PTK2 Q05397 1/20 0.57
▸ TNK2 Q07912 1/20 0.57
▸ STK4 Q13043 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
SCHEMBL217828 0.88 JAK2 (0.82) NTRK1JAK2AURKAPLK4STK10
SCHEMBL3039039 0.85 NTRK1 (1.00) NTRK1JAK2AURKAPLK4STK10
SCHEMBL3028856 0.85 NTRK1 (1.00) NTRK1JAK2AURKAPLK4STK10
SCHEMBL4160441 0.85 NTRK1 (0.82) NTRK1JAK2JAK3IGF1R
SCHEMBL22535814 0.85 JAK2 (0.63) NTRK1JAK2JAK3IGF1R
SCHEMBL3028618 0.83 NTRK1 (0.79) NTRK1JAK2AURKAPLK4STK10
SCHEMBL3029858 0.83 NTRK1 (0.79) NTRK1JAK2AURKAPLK4STK10
SCHEMBL3040607 0.83 NTRK1 (0.79) NTRK1JAK2AURKAPLK4STK10
SCHEMBL3034154 0.83 JAK2 (0.58) NTRK1JAK2AURKAPLK4STK10
SCHEMBL22535275 0.82 JAK2 (0.59) NTRK1JAK2JAK3IGF1R

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 6 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-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
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 NTRK1 574/4885JAK2 32/4885AURKA 156/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 NTRK1 574/4885JAK2 32/4885AURKA 156/4885

“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.