SCHEMBL522056

SCHEMBL522056

CSc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
DRD3 P35462 5/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DRD4 P21917 3/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC6A3 Q01959 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
IGF1R P08069 1/20 0.35
JAK2 O60674 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HRH1 P35367 1/20 0.34

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
SCHEMBL522057 1.00 DRD2 (0.43) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL521067 0.85 DRD2 (0.48) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL521068 0.85 DRD2 (0.48) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL520843 0.82 JAK2 (0.44) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL520842 0.82 JAK2 (0.44) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL521107 0.81 MAPT (0.51) ALDH1A1MAPT
SCHEMBL521106 0.81 MAPT (0.51) ALDH1A1MAPT
SCHEMBL521295 0.77 MAPT (0.54) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL521294 0.77 MAPT (0.54) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL13419252 0.73 MAPT (0.52) DRD2DRD3HTR2ADRD4HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 DRD2 2358/4885DRD3 3026/4885HTR2A 2335/4885

“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.