SCHEMBL521340

SCHEMBL521340

CC(C)(C)OC(=O)N1CCC(c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.50
INSR P06213 1/20 0.50
JAK3 P52333 2/20 0.47
SYK P43405 1/20 0.47
GPR119 Q8TDV5 7/20 0.46
CCND3 P30281 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
LRRK2 Q5S007 1/20 0.45
TGFBR1 P36897 1/20 0.45
PTK2 Q05397 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL16530360 0.89 JAK2 (0.49) JAK2INSRJAK3SYKCDK4
SCHEMBL521957 0.85 JAK2 (0.49) JAK2INSRJAK3SYKCCND3
SCHEMBL520237 0.81 INSR (0.61) JAK2INSRJAK3SYKCCND3
SCHEMBL520665 0.78 INSR (0.66) JAK2INSRJAK3PTK2
SCHEMBL23742320 0.73 ALDH1A1 (0.67) GPR119TGFBR1LMNAMAPTSMN1; SMN2
SCHEMBL519703 0.73 ALK (0.62) JAK2INSRJAK3CCND3CDK4
SCHEMBL520780 0.73 JAK2 (0.65) JAK2INSRJAK3CCND3CCNK
SCHEMBL3068290 0.72 GPR119 (0.62) GPR119LMNA
SCHEMBL29669885 0.72 JAK2 (0.66) JAK2JAK3SYKCCND3CDK4
SCHEMBL28689498 0.72 JAK2 (0.66) JAK2JAK3SYKCCND3CDK4

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 JAK2 1/4885INSR 1738/4885JAK3 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.