SCHEMBL519587

SCHEMBL519587

NC(c1cccnc1)c1ncc2ccc(-c3ccccc3)n2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.42
ALK Q9UM73 3/20 0.42
JAK2 O60674 1/20 0.42
PTK2 Q05397 1/20 0.42
FYN P06241 4/20 0.41
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNA5 P22460 2/20 0.36
KCNH2 Q12809 1/20 0.36
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34

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
SCHEMBL1947761 0.73 FYN (0.48) FYNCFTRSLC6A2SLC6A4SLC6A3
SCHEMBL519588 0.71 INSR (0.49) INSRALKJAK2PTK2FYN
SCHEMBL5075468 0.68 CFTR (0.63) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL19221988 0.68 DYRK3 (0.47) FYNGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL10267190 0.67 INSR (0.49) INSRALKJAK2PTK2FYN
SCHEMBL19221993 0.67 INSR (0.46) INSRALKJAK2PTK2FYN
SCHEMBL2494591 0.66 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL3751857 0.65 CFTR (0.56) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL2253526 0.64 FYN (0.43) FYNDYRK3CCNA2CDK2CDK5
SCHEMBL18228201 0.64 SLC6A2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC

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 INSR 1738/4885ALK 2/4885JAK2 1/4885

“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.