SCHEMBL3336236

SCHEMBL3336236

C[C@H](Nc1ncccn1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.51
ATP1A1 P05023 1/20 0.51
ATP1B1 P05026 1/20 0.51
ATP1A3 P13637 1/20 0.51
ATP1B2 P14415 1/20 0.51
ATP1A2 P50993 1/20 0.51
ATP1B3 P54709 1/20 0.51
FXYD2 P54710 1/20 0.51
ATP1A4 Q13733 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HTR7 P34969 7/20 0.51
HTR2C P28335 2/20 0.51
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
MAPKAPK2 P49137 1/20 0.47
IDH1 O75874 4/20 0.46
NTRK1 P04629 1/20 0.46

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
SCHEMBL26614702 0.81 HDAC6 (0.54) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL26614705 0.81 HDAC6 (0.54) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL14840619 0.81 GPR55 (0.58) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL27850423 0.80 HTR7 (0.52) HTR7HTR2CADRA1DADRA1AADRA1B
SCHEMBL5117827 0.78 GPR55 (0.46) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL26614624 0.77 ALDH1A1 (0.53) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL28794316 0.77 GPR55 (0.48) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL20491132 0.77 HDAC6 (0.54) GPR55ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL18186701 0.76 IDH1 (0.57) HDAC6HTR7HTR2CADRA1DADRA1A
SCHEMBL28120957 0.76 HTR7 (0.57) HTR7HTR2CADRA1DADRA1AADRA1B

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 GPR55 1020/4885ATP1A1 4118/4885ATP1B1 3822/4885

“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.