SCHEMBL521784

SCHEMBL521784

Oc1ncc2ccc(-c3ccccn3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL522035 0.82 JAK2 (0.39) JAK2
SCHEMBL522172 0.81 JAK2 (0.43) ALDH1A1CYP1A2POLBHPGDHSD17B10
SCHEMBL19221993 0.79 INSR (0.46) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL521927 0.78 LMNA (0.41) LMNANPC1L3MBTL1RAB9AMAPT
SCHEMBL522150 0.76 ALK (0.39) LMNANPC1L3MBTL1RAB9AMAPT
SCHEMBL19221988 0.74 DYRK3 (0.47) MAPTKDM4EALDH1A1CYP1A2HIF1A
SCHEMBL520750 0.72 JAK2 (0.47) KDM4EALDH1A1HPGDJAK2
SCHEMBL28264209 0.68 KDM4E (0.56) LMNANPC1L3MBTL1RAB9AMAPT
SCHEMBL19222014 0.67 KDM4E (0.31) L3MBTL1KDM4EALDH1A1
SCHEMBL520395 0.67

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 LMNA 3783/4885NPC1 3543/4885L3MBTL1 2484/4885

“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.