SCHEMBL520387

SCHEMBL520387

COc1cc(CCN2CCOCC2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.55
ALDH1A1 P00352 2/20 0.51
EBP Q15125 2/20 0.49
TMEM97 Q5BJF2 1/20 0.49
HTT P42858 1/20 0.49
SYK P43405 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EBPL Q9BY08 1/20 0.45

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
SCHEMBL18159368 0.89 SIGMAR1 (0.55) SIGMAR1ALDH1A1EBPTMEM97HTT
SCHEMBL2228812 0.87 SIGMAR1 (0.59) SIGMAR1ALDH1A1EBPTMEM97EBPL
SCHEMBL310628 0.86 SIGMAR1 (0.54) SIGMAR1ALDH1A1EBPTMEM97CYP2D6
SCHEMBL521236 0.86 HTT (0.66) ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL29788564 0.86 HTT (0.66) ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL15136618 0.83 HTT (0.59) SIGMAR1ALDH1A1EBPTMEM97HTT
SCHEMBL12969159 0.81 SIGMAR1 (0.59) SIGMAR1TMEM97CYP2D6
SCHEMBL14180536 0.80 CHEK1 (0.51) SYKCYP2D6TSHR
Hydrochloric Acid SCHEMBL11276469 0.80 SIGMAR1 (0.54) SIGMAR1ALDH1A1EBPTMEM97HTT
SCHEMBL29788588 0.78 ALDH1A1 (0.58) SIGMAR1ALDH1A1SYKCYP2D6TSHR

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 6 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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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 SIGMAR1 4165/4885ALDH1A1 779/4885EBP 1716/4885

“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.