SCHEMBL519422

SCHEMBL519422

c1ccc(-c2ccc3cnc(NCCCN4CCOCC4)nn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.59
ALK Q9UM73 3/20 0.50
AXL P30530 1/20 0.48
TYRO3 Q06418 1/20 0.48
MERTK Q12866 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 7/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
ACP1 P24666 2/20 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
SCHEMBL520463 0.94 INSR (0.61) INSRALKMERTKKDM4ELMNA
SCHEMBL3648939 0.74 PIM1 (0.62) MAPK1HSD17B10
SCHEMBL520176 0.74 INSR (1.00) INSRALKJAK2PTK2
Hydrochloric Acid SCHEMBL3452909 0.74 PIM1 (0.61) MAPK1HSD17B10
SCHEMBL519080 0.72 INSR (0.62) INSRALKTSHRKDM4EALDH1A1
SCHEMBL520955 0.71 INSR (0.52) INSRALKJAK2
SCHEMBL521139 0.71 INSR (0.54) INSRALKJAK2PTK2
SCHEMBL518789 0.70 INSR (0.58) INSRALKNPC1RAB9ACYP2C19
SCHEMBL2943473 0.70 TYRO3 (0.50) TYRO3MERTKTSHRMAPK1ALOX15
SCHEMBL3577968 0.70 EGFR (0.52) TYRO3MERTKTSHRKDM4ELMNA

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 1738/4885ALK 2/4885AXL 2963/4885

“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.