SCHEMBL520101

SCHEMBL520101

COc1cc([C@@]2(O)CCN(CCF)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.82
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KCNH2 Q12809 1/20 0.59
NPM1 P06748 10/20 0.58
INSR P06213 9/20 0.58
JAK2 O60674 1/20 0.55
PTK2 Q05397 1/20 0.55

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
SCHEMBL2482462 1.00 ALK (0.82) ALKCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2528619 0.91 ALK (0.70) ALKCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL520209 0.90 ALK (1.00) ALKCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL16276766 0.90 ALK (1.00) ALKCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2483488 0.90 ALK (1.00) ALKCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2485252 0.90 ALK (0.85) ALKKCNH2NPM1INSRJAK2
SCHEMBL520360 0.90 ALK (0.85) ALKKCNH2NPM1INSRJAK2
SCHEMBL520928 0.83 ALK (0.84) ALKKCNH2NPM1INSRJAK2
SCHEMBL521215 0.83 ALK (1.00) ALKCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL520830 0.83 ALK (1.00) ALKCYP3A4CYP2C9CYP2C19KCNH2

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 10 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 claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
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 ALK 2/4885CYP3A4 1768/4885CYP2C9 3926/4885

“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.