SCHEMBL521129

SCHEMBL521129

CN1CCC2(C=Cc3cc(N)ccc3O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL5317314 0.80 HTR2C (0.45) HTR2CDRD2HTR2AHTR2BADRA1D
SCHEMBL3413391 0.79 HTR2C (0.62) HTR2CDRD2HTR2AHTR2BADRA1D
SCHEMBL5313523 0.77 DRD2 (0.47) HTR2CDRD2HTR2AADRA1DADRA1A
SCHEMBL13005015 0.72 HTR2C (0.70) HTR2CDRD2HTR2AHTR2BADRA1D
SCHEMBL2012004 0.72 HIF1A (0.46) CA12CA1CA2CA9MAPT
SCHEMBL4800628 0.67 PTGS1 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL5315645 0.65 HDAC3 (0.48) HTR2CDRD2HTR2AADRA1DADRA1A
SCHEMBL23346683 0.65 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL6927966 0.65 HTR1D (0.39) HTR2AMAPTKDM4ERAD52
SCHEMBL21257372 0.65 PTGS1 (0.37) CA12CA1CA2CA9MAPT

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 5 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
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 HTR2C 2534/4885DRD2 2358/4885HTR2A 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.