Sugi Predict

Sugi Predict / Compounds / SCHEMBL3028856

SCHEMBL3028856

SCHEMBL3028856

C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 15/20 1.00
▸ JAK2 O60674 4/20 0.64
▸ JAK3 P52333 3/20 0.62
▸ AURKA O14965 4/20 0.61
▸ IGF1R P08069 3/20 0.61
▸ NTRK3 Q16288 2/20 0.61
▸ NTRK2 Q16620 2/20 0.61
▸ RET P07949 2/20 0.61
▸ FGFR1 P11362 2/20 0.61
▸ FLT3 P36888 2/20 0.61
▸ PTK2 Q05397 2/20 0.61
▸ TNK2 Q07912 2/20 0.61
▸ LCK P06239 1/20 0.61
▸ FYN P06241 1/20 0.61
▸ FLT1 P17948 1/20 0.61
▸ LTK P29376 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ CSNK1A1 P48729 1/20 0.61
▸ CLK2 P49760 1/20 0.61
▸ CDK7 P50613 1/20 0.61

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
SCHEMBL3039039 1.00 NTRK1 (1.00) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL4903525 0.91 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL4900517 0.90 NTRK1 (0.82) NTRK1JAK2IGF1R
SCHEMBL3036550 0.89 NTRK1 (0.83) NTRK1JAK2JAK3IGF1R
SCHEMBL3033789 0.89 NTRK1 (0.80) NTRK1JAK2IGF1R
SCHEMBL4160441 0.89 NTRK1 (0.82) NTRK1JAK2JAK3IGF1R
SCHEMBL3029858 0.88 NTRK1 (0.79) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL3028618 0.88 NTRK1 (0.79) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL3040607 0.88 NTRK1 (0.79) NTRK1JAK2JAK3AURKAIGF1R
SCHEMBL217828 0.88 JAK2 (0.82) NTRK1JAK2JAK3AURKAIGF1R

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

“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.