SCHEMBL519768

SCHEMBL519768

COc1cc(N2CCCC(N3CCN(S(C)(=O)=O)CC3)C2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TTK P33981 5/20 0.42
FLT3 P36888 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 2/20 0.41
ALK Q9UM73 1/20 0.41
PDE7A Q13946 1/20 0.40
IGF1R P08069 1/20 0.39
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL309660 0.88 IGF1R (0.47) NPC1TDP1TTKFLT3SMN1; SMN2
SCHEMBL11333631 0.87 NPC1 (0.45) NPC1TDP1HTR6ALKGAA
Hydrochloric Acid SCHEMBL2207439 0.87 IGF1R (0.47) NPC1TDP1TTKFLT3SMN1; SMN2
SCHEMBL519637 0.86 NPC1 (0.42) NPC1TDP1ALKIGF1RKDM4E
SCHEMBL519347 0.84 SHMT2 (0.44) ALKPDE7AALDH1A1
SCHEMBL519977 0.83 ALDH1A1 (0.60) NPC1TDP1TTKPOLBSMN1; SMN2
SCHEMBL521060 0.83 CHEK1 (0.44) TTKALKGAAALDH1A1
SCHEMBL2204949 0.83 SUV39H2 (0.48) TTKSMN1; SMN2ALKPDE7ALMNA
SCHEMBL310873 0.82 ALK (0.51) TTKSMN1; SMN2ALKGAAALDH1A1
SCHEMBL521798 0.81 MEN1 (0.41) KDM4EGAAALDH1A1

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 NPC1 3543/4885TDP1 1698/4885TTK 1107/4885

“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.