SCHEMBL521638

SCHEMBL521638

COc1c(C(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.53
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4462435 0.86 KMT2A (0.61) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL14450162 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL3193640 0.85 ALDH1A1 (0.67) HRH4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3882151 0.83 HRH4 (0.56) HRH4ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL18394666 0.82 SIRT6 (0.46) HRH4ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL519919 0.79 ALDH1A1 (0.53) HRH4ALDH1A1LMNAKDM4EHTT
SCHEMBL24510724 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL521662 0.76 TSHR (0.68) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL7111424 0.76 TSHR (0.54) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL29686473 0.76 TSHR (0.54) ALDH1A1SMN1; SMN2LMNAHTTPOLB

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 HRH4 657/4885ALDH1A1 779/4885SMN1; SMN2 4722/4885

“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.