SCHEMBL522580

SCHEMBL522580

COc1ccc(-c2cc(Cl)c3cnc(O)nn23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ACLY P53396 1/20 0.41
F2RL3 Q96RI0 3/20 0.39
PIK3CA P42336 1/20 0.39
KDR P35968 1/20 0.39
JAK2 O60674 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ERN1 O75460 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 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
SCHEMBL520376 0.83 ADORA2A (0.42) FYNHSD17B1HSD17B2ACLYF2RL3
SCHEMBL521391 0.81 ACLY (0.41) FYNACLYF2RL3KDRJAK2
SCHEMBL521246 0.76 JAK2 (0.52) FYNHSD17B1HSD17B2KDRJAK2
SCHEMBL13234221 0.69 FYN (0.68) FYNKDR
SCHEMBL14373204 0.67 FYN (0.70) FYNKDR
SCHEMBL31174412 0.65 CYP2A6 (0.68) FYNHSD17B1HSD17B2PIK3CAPDGFRB
SCHEMBL3754419 0.65 CYP2A6 (0.68) FYNHSD17B1HSD17B2PIK3CAPDGFRB
SCHEMBL13575394 0.65 OXTR (0.53) FYNHSD17B1HSD17B2JAK2PRKAG1
SCHEMBL14934093 0.64 PIK3CA (0.52) FYNHSD17B1HSD17B2PIK3CAPDGFRB
SCHEMBL13575396 0.63 MKNK1 (0.57) FYNHSD17B1HSD17B2PIK3CAKDR

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 FYN 195/4885HSD17B1 2131/4885HSD17B2 2324/4885

“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.