SCHEMBL4155669

SCHEMBL4155669

C[C@H](Nc1nc(N)c2c(-c3cc(C(C)(C)C)[nH]n3)cccc2n1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 12/20 0.48
AURKA O14965 5/20 0.48
NTRK1 P04629 1/20 0.46
HTR7 P34969 7/20 0.39
HTR2C P28335 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
HTR6 P50406 2/20 0.38
IGF1R P08069 1/20 0.36

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
SCHEMBL4068246 0.84 NTRK1 (0.50) GRK6AURKANTRK1IGF1R
SCHEMBL4064986 0.79 NTRK1 (0.53) GRK6AURKANTRK1HTR7HTR2C
SCHEMBL4073775 0.75 NTRK1 (0.47) NTRK1IGF1R
SCHEMBL3341203 0.73 NTRK1 (0.51) GRK6AURKANTRK1HTR7HTR2C
SCHEMBL4075878 0.72 NTRK1 (0.49) GRK6AURKANTRK1
SCHEMBL22535761 0.71 NTRK1 (0.63) GRK6AURKANTRK1HTR7HTR2C
SCHEMBL2241284 0.70 NTRK1 (0.43) GRK6AURKANTRK1
SCHEMBL4147398 0.69 NTRK1 (0.52) GRK6AURKANTRK1IGF1R
SCHEMBL4158277 0.69 NTRK1 (0.51) GRK6AURKANTRK1
SCHEMBL3339301 0.69 NTRK1 (0.56) 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 1 patent. 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

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 GRK6 3552/4885AURKA 2423/4885NTRK1 3656/4885

“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.