SCHEMBL520876

SCHEMBL520876

CN1CCN(C)C(c2cccc(N)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 2/20 0.40
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
ADRA2C P18825 1/20 0.38
BTK Q06187 4/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HSD17B2 P37059 1/20 0.33
CA12 O43570 2/20 0.33
DRD1 P21728 1/20 0.33
BRD4 O60885 1/20 0.33
CYP19A1 P11511 1/20 0.33
PRCP P42785 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL14912047 0.81 CYP19A1 (0.46) CA1CA2CA9CA14ADRA2C
SCHEMBL520940 0.81 CYP19A1 (0.46) CA1CA2CA9CA14ADRA2C
SCHEMBL15650719 0.81 CYP19A1 (0.46) CA1CA2CA9CA14ADRA2C
SCHEMBL30754606 0.80 PRCP (0.49) CHRNB2CHRNA4DRD1BRD4PRCP
SCHEMBL519954 0.77 LMNA (0.51) CA1CA2CA9CA14CYP3A4
SCHEMBL255085 0.72 CHRNA7 (0.38)
SCHEMBL14930417 0.70 CHRNB1 (0.36) BTKCHRNB2CHRNA4CYP3A4RECQL
SCHEMBL25627891 0.70 ADRA2C (0.43) CA1CA2CA9DDB1CRBN
SCHEMBL22503012 0.69 ALDH1A1 (0.35) CASP1
SCHEMBL14924011 0.69 HPGD (0.44)

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 CA1 4430/4885CA2 1560/4885CA9 4168/4885

“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.