SCHEMBL3341203

SCHEMBL3341203

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.51
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
GRK6 P43250 5/20 0.40
AURKA O14965 2/20 0.38
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL4075878 0.93 NTRK1 (0.49) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL4068246 0.90 NTRK1 (0.50) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL3338223 0.87 NTRK1 (0.46) NTRK1JAK2JAK3GRK6ADRA1D
SCHEMBL4158277 0.85 NTRK1 (0.51) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL4147398 0.85 NTRK1 (0.52) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL4068115 0.84 NTRK1 (0.49) NTRK1JAK2JAK3ADRA1DHTR2C
SCHEMBL3339301 0.84 NTRK1 (0.56) NTRK1JAK2JAK3
SCHEMBL4070020 0.84 NTRK1 (0.43) NTRK1JAK2JAK3ADRA1DHTR7
SCHEMBL4069096 0.84 NTRK1 (0.43) NTRK1JAK2JAK3ADRA1DHTR7
SCHEMBL4162039 0.83 NTRK1 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
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
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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 (3 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885JAK2 179/4885JAK3 215/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NTRK1 15/4885JAK2 144/4885JAK3 166/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885JAK2 1971/4885JAK3 1598/4885

“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.