SCHEMBL520274

SCHEMBL520274

c1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nn2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.60
JAK2 O60674 8/20 0.56
JAK3 P52333 6/20 0.56
PTK2 Q05397 5/20 0.56
SYK P43405 1/20 0.53
IGF1R P08069 1/20 0.52
AURKA O14965 2/20 0.50
CDK4 P11802 2/20 0.50
STAT6 P42226 1/20 0.49
PLK4 O00444 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
CDK2 P24941 2/20 0.47
CCNK O75909 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
PKMYT1 Q99640 1/20 0.47

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
SCHEMBL519704 0.88 HDAC3 (0.58) INSRJAK2JAK3PTK2CDK4
Acetic Acid SCHEMBL520171 0.81 HDAC3 (0.58) INSRJAK2JAK3PTK2SYK
Acetic Acid SCHEMBL520172 0.80 HDAC3 (0.57) JAK2JAK3PTK2SYKAURKA
SCHEMBL31587980 0.78 JAK2 (0.53) INSRJAK2JAK3PTK2SYK
SCHEMBL519923 0.77 INSR (0.69) INSRJAK2SYKIGF1RAURKA
SCHEMBL31588187 0.76 MAP4K4 (0.49) JAK2JAK3PTK2CDK4CDK2
SCHEMBL520176 0.75 INSR (1.00) INSRJAK2JAK3PTK2IGF1R
SCHEMBL518628 0.75 INSR (0.64) INSRJAK2JAK3SYKIGF1R
SCHEMBL29972048 0.75 PLK4 (0.68) JAK2SYKIGF1RAURKAPLK4
SCHEMBL519464 0.74 INSR (0.65) INSRJAK2JAK3SYKIGF1R

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 1738/4885JAK2 1/4885JAK3 6/4885

“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.