SCHEMBL522187

SCHEMBL522187

c1cc2c(c(-c3ccc4cnc(Nc5cnn(C6CCNCC6)c5)nn34)c1)OCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 5/20 0.43
JAK2 O60674 6/20 0.40
PIK3CD O00329 1/20 0.40
CSF1R P07333 1/20 0.40
CDK4 P11802 1/20 0.40
CDK6 Q00534 1/20 0.40
AURKB Q96GD4 1/20 0.40
AURKC Q9UQB9 1/20 0.40
PTK2 Q05397 2/20 0.40
JAK3 P52333 1/20 0.40
LRRK2 Q5S007 1/20 0.38
EIF2AK4 Q9P2K8 3/20 0.38
FLT4 P35916 2/20 0.38
INSR P06213 1/20 0.38
KDR P35968 1/20 0.37
ALK Q9UM73 1/20 0.37

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
Hydrochloric Acid SCHEMBL521499 0.99 NUAK1 (0.43) NUAK1JAK2PIK3CDCSF1RCDK4
SCHEMBL520749 0.84 JAK2 (0.48) JAK2PTK2JAK3INSRALK
SCHEMBL16530528 0.83 JAK2 (0.40) JAK2PTK2JAK3INSRALK
SCHEMBL18410171 0.82 LRRK2 (0.54) NUAK1JAK2PIK3CDCSF1RCDK4
SCHEMBL522572 0.80 JAK2 (0.60) NUAK1JAK2PTK2INSRALK
Hydrochloric Acid SCHEMBL2482184 0.80 JAK2 (0.59) NUAK1JAK2PTK2INSRALK
SCHEMBL16530361 0.77 NUAK1 (0.47) NUAK1JAK2AURKBAURKCPTK2
SCHEMBL522067 0.76 ALK (0.62) NUAK1JAK2PTK2JAK3INSR
SCHEMBL18410038 0.76 ALK (0.63) NUAK1JAK2PIK3CDCSF1RCDK4
SCHEMBL520776 0.75 ALK (0.49) JAK2PTK2INSRALK

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 2 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed

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 NUAK1 2136/4885JAK2 1/4885PIK3CD 197/4885

“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.