SCHEMBL16267455

SCHEMBL16267455

COc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
ABL2 P42684 1/20 0.47
STS P08842 2/20 0.46
PDE4B Q07343 2/20 0.46
TGFBR1 P36897 2/20 0.46
TACR1 P25103 1/20 0.44
USP30 Q70CQ3 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
EPHX2 P34913 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2811600 0.89 GPR119 (0.51) MEN1KMT2AJAK2JAK3PTK2
SCHEMBL2811603 0.89 GPR119 (0.51) MEN1KMT2AJAK2JAK3PTK2
SCHEMBL528039 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1ABL1EGFR
SCHEMBL1752278 0.87 PDE4B (0.53) MEN1KMT2AALDH1A1ABL1EGFR
SCHEMBL19168895 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1ABL1EGFR
SCHEMBL12592451 0.87 PDE4B (0.53) MEN1KMT2AALDH1A1ABL1EGFR
SCHEMBL14256143 0.86 JAK2 (0.46) MEN1KMT2AJAK2JAK3PTK2
SCHEMBL7841659 0.86 GPR119 (0.56) MEN1KMT2AJAK2JAK3PTK2
SCHEMBL7842833 0.86 GPR119 (0.56) MEN1KMT2AJAK2JAK3PTK2
SCHEMBL7841657 0.86 GPR119 (0.56) MEN1KMT2AJAK2JAK3PTK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347756-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-12-01 US disclosed
US-20160347756-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-12-01 US disclosed
US-20160347756-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-12-01 US disclosed
US-9440984-B2 Pyrrolotriazines as ALK inhibitors CEPHALON, INC. (US) 2016-09-13 US disclosed
US-9440984-B2 Pyrrolotriazines as ALK inhibitors CEPHALON, INC. (US) 2016-09-13 US disclosed
US-9440984-B2 Pyrrolotriazines as ALK inhibitors CEPHALON, INC. (US) 2016-09-13 US disclosed
EP-3004111-A1 PYRROLOTRIAZINES AS ALK INHIBITORS Cephalon, Inc. (US) 2016-04-13 EP disclosed
US-20160068535-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-03-10 US disclosed
US-20160068535-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-03-10 US disclosed
US-20160068535-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-03-10 US disclosed
WO-2014193932-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. (US) 2014-12-04 WO disclosed
WO-2014193932-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. (US) 2014-12-04 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 (2 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-20160068535-A1 PYRROLOTRIAZINES AS ALK INHIBITORS ALK, ACVR1, AGTR1 MEN1 3460/4885KMT2A 468/4885JAK2 82/4885
US-20160347756-A1 PYRROLOTRIAZINES AS ALK INHIBITORS ALK, ACVR1, AGTR1 MEN1 3460/4885KMT2A 468/4885JAK2 82/4885

“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.