SCHEMBL4069073

SCHEMBL4069073

OC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.72
IGF1R P08069 3/20 0.50
PLK4 O00444 1/20 0.49
PAK4 O96013 1/20 0.49

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
SCHEMBL4074253 0.92 NTRK1 (0.73) NTRK1IGF1RPLK4PAK4
SCHEMBL4075068 0.87 NTRK1 (0.74) NTRK1IGF1R
SCHEMBL29794656 0.86 NTRK1 (0.70) NTRK1
SCHEMBL23217099 0.86 NTRK1 (0.70) NTRK1
SCHEMBL3338355 0.86 NTRK1 (0.70) NTRK1
SCHEMBL4160280 0.85 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL4144533 0.85 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL4151364 0.85 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL3342109 0.85 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL23216996 0.85 NTRK1 (0.83) 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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 (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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 NTRK1 1820/4885IGF1R 819/4885PLK4 2773/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885IGF1R 4775/4885PLK4 2648/4885

“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.