SCHEMBL521737

SCHEMBL521737

N#CC1(c2ccc([N+](=O)[O-])cc2)CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 1/20 0.38
OPRM1 P35372 3/20 0.37
KCNJ1 P48048 1/20 0.37
CHRM4 P08173 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL3909759 0.84 CA12 (0.46) SCDCA12CA1CA2CA9
SCHEMBL3901907 0.84 ALDH1A1 (0.52) SCDCA12CA1CA2CA9
SCHEMBL7383256 0.82 ALDH1A1 (0.41) CA12CA1CA2CA9CA7
SCHEMBL7394488 0.82 CA12 (0.44) CA12CA1CA2CA9CA7
SCHEMBL521915 0.82 CA12 (0.58) CA12CA1CA2CA9CA7
SCHEMBL1769324 0.78 PGR (0.46) SCDMEN1KMT2AOPRM1
SCHEMBL7397650 0.78 CA12 (0.40) CA12CA1CA2CA9CA7
SCHEMBL5763317 0.77 PGR (0.36) MEN1KMT2ACTSSKCNJ1PKM
SCHEMBL5763191 0.77 PGR (0.36) MEN1KMT2ACTSSKCNJ1PKM
SCHEMBL5763319 0.77 PGR (0.36) MEN1KMT2ACTSSKCNJ1PKM

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 8 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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP 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 SCD 2663/4885CA12 4169/4885CA1 4430/4885

“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.