SCHEMBL4070020

SCHEMBL4070020

C[C@H](Nc1nc(N)c2c(-c3cc(C4CC4)[nH]n3)cc(OCCN3CCCC3)cc2n1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.43
HTR7 P34969 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
IGF1R P08069 3/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 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
SCHEMBL4069096 0.96 NTRK1 (0.43) NTRK1HTR7ADRA1DADRA1AADRA1B
SCHEMBL4149465 0.94 IGF1R (0.44) NTRK1HTR7ADRA1DADRA1AADRA1B
SCHEMBL3338223 0.89 NTRK1 (0.46) NTRK1HTR7ADRA1DADRA1AADRA1B
SCHEMBL4077936 0.86 NTRK1 (0.43) NTRK1HTR7ADRA1DADRA1AADRA1B
SCHEMBL3341203 0.84 NTRK1 (0.51) NTRK1HTR7ADRA1DADRA1AADRA1B
SCHEMBL4075878 0.82 NTRK1 (0.49) NTRK1JAK2JAK3
SCHEMBL4068246 0.80 NTRK1 (0.50) NTRK1IGF1RJAK2JAK3
SCHEMBL3339301 0.76 NTRK1 (0.56) NTRK1IGF1RJAK2JAK3
SCHEMBL4162039 0.75 NTRK1 (0.62) NTRK1IGF1RJAK2JAK3
SCHEMBL4158277 0.75 NTRK1 (0.51) NTRK1JAK2JAK3

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 2 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

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 3656/4885HTR7 845/4885ADRA1D 545/4885

“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.