SCHEMBL4070836

SCHEMBL4070836

CC(Nc1ncc(-c2cc(C3CC3)[nH]n2)c(N)n1)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
NTRK1 P04629 10/20 0.39
IGF1R P08069 5/20 0.39
MAP3K12 Q12852 1/20 0.38
PAK1 Q13153 5/20 0.37
PAK3 O75914 4/20 0.37
PAK2 Q13177 4/20 0.37

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
SCHEMBL4144541 0.81 NTRK1 (0.59) JAK2NTRK1IGF1R
SCHEMBL220866 0.80 JAK2 (0.61) JAK2NTRK1
SCHEMBL4162039 0.80 NTRK1 (0.62) JAK2NTRK1IGF1R
SCHEMBL589564 0.78 NTRK1 (0.63) JAK2NTRK1IGF1RPAK1PAK3
SCHEMBL589443 0.78 JAK2 (0.52) JAK2NTRK1IGF1RPAK1PAK3
SCHEMBL14722563 0.78 IGF1R (0.40) IGF1R
SCHEMBL589514 0.77 NTRK1 (0.51) JAK2NTRK1IGF1RPAK1PAK3
SCHEMBL15208531 0.77 PAK1 (0.50) JAK2NTRK1IGF1RPAK1PAK3
SCHEMBL15058643 0.77 PAK1 (0.47) JAK2NTRK1IGF1RPAK1PAK3
SCHEMBL15208437 0.76 PAK1 (0.58) NTRK1IGF1RPAK1PAK3PAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1877057-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2008-01-16 EP disclosed
WO-2006115452-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-11-02 WO 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 (1 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP JAK2 1971/4885NTRK1 3656/4885IGF1R 4775/4885

“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.