SCHEMBL3036550

SCHEMBL3036550

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

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.83
IGF1R P08069 12/20 0.71
JAK2 O60674 2/20 0.64
JAK3 P52333 1/20 0.62

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
SCHEMBL4903525 0.91 NTRK1 (1.00) NTRK1IGF1RJAK2JAK3
SCHEMBL3028856 0.89 NTRK1 (1.00) NTRK1IGF1RJAK2JAK3
SCHEMBL3039039 0.89 NTRK1 (1.00) NTRK1IGF1RJAK2JAK3
SCHEMBL4144686 0.89 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL4070121 0.86 IGF1R (0.78) NTRK1IGF1R
SCHEMBL22535809 0.85 NTRK1 (0.76) NTRK1IGF1RJAK2JAK3
SCHEMBL11344767 0.83 IGF1R (1.00) NTRK1IGF1R
SCHEMBL4459019 0.83 IGF1R (1.00) NTRK1IGF1R
SCHEMBL22535280 0.83 NTRK1 (0.73) NTRK1JAK2JAK3
SCHEMBL4075877 0.83 IGF1R (1.00) NTRK1IGF1R

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 574/4885IGF1R 407/4885JAK2 32/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 NTRK1 574/4885IGF1R 407/4885JAK2 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.