SCHEMBL521968

SCHEMBL521968

CSc1ncc2ccc(-n3cccn3)n2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.34
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL521384 0.76 KDM4E (0.30) KDM4EALDH1A1KMT2ALMNA
SCHEMBL521646 0.71 JAK2 (0.38) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10259035 0.71 POLB (0.34) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL519628 0.69 POLB (0.33) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL20910327 0.69 POLB (0.33) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL25327119 0.69 KDM4E (0.32) KDM4EPOLB
SCHEMBL521927 0.68 LMNA (0.41) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL520320 0.66 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL18078323 0.66 KDM4E (0.37) KDM4EPOLB
SCHEMBL521005 0.65

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 PCSK9 3720/4885KDM4E 192/4885ALDH1A1 779/4885

“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.