SCHEMBL4151812

SCHEMBL4151812

OC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.70
ULK1 O75385 3/20 0.62
NTRK3 Q16288 1/20 0.60
NTRK2 Q16620 1/20 0.60
IGF1R P08069 4/20 0.58
PAK4 O96013 1/20 0.55
PAK1 Q13153 1/20 0.55
SRC P12931 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
GSK3B P49841 1/20 0.53
PDK1 Q15118 1/20 0.53
ULK2 Q8IYT8 1/20 0.53

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
SCHEMBL27654586 0.91 NTRK1 (0.64) NTRK1ULK1NTRK3NTRK2IGF1R
SCHEMBL4074989 0.91 NTRK1 (0.64) NTRK1ULK1NTRK3NTRK2IGF1R
SCHEMBL4551106 0.90 NTRK1 (0.65) NTRK1ULK1NTRK3NTRK2IGF1R
SCHEMBL4160193 0.90 NTRK1 (0.65) NTRK1ULK1NTRK3NTRK2IGF1R
SCHEMBL4075190 0.90 NTRK1 (0.65) NTRK1IGF1RPAK4PAK1SRC
SCHEMBL4155683 0.90 NTRK1 (0.65) NTRK1IGF1RPAK4PAK1SRC
SCHEMBL4155715 0.88 NTRK1 (0.68) NTRK1ULK1NTRK3NTRK2IGF1R
SCHEMBL4074253 0.88 NTRK1 (0.73) NTRK1ULK1IGF1RPAK4
SCHEMBL4076569 0.86 NTRK1 (0.65) NTRK1ULK1IGF1RPAK4GSK3B
SCHEMBL4066282 0.86 IGF1R (0.71) NTRK1ULK1IGF1RPAK4PAK1

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-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 NTRK1 3656/4885ULK1 3406/4885NTRK3 3193/4885

“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.