SCHEMBL521597

SCHEMBL521597

Nc1ccc2c(c1)ncn2CCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.64
MAPT P10636 3/20 0.64
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 1/20 0.52
FGFR1 P11362 5/20 0.46
SRC P12931 3/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL521814 0.89 HSD17B10 (0.49) HSD17B10MAPTHDAC1HDAC2FGFR1
SCHEMBL2075907 0.89 HSD17B10 (0.68) HSD17B10MAPTHDAC1HDAC2FGFR1
SCHEMBL2950344 0.83 MAPK1 (0.49) HSD17B10MAPTHDAC1HDAC2FGFR1
SCHEMBL17678347 0.83 KDM4E (0.51) HSD17B10MAPTHDAC1HDAC2FGFR1
SCHEMBL21026149 0.80 SIGMAR1 (0.48) HSD17B10MAPTHDAC1HDAC2FGFR1
SCHEMBL6871616 0.80 TDP1 (0.69) HSD17B10MAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24166881 0.79 ACVR1 (0.56) HSD17B10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30656805 0.79 ACVR1 (0.56) HSD17B10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL520932 0.78 PKM (0.60) MAPTHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL18731914 0.77 HSD17B10 (0.53) HSD17B10MAPTFGFR1SRCMAPK1

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 HSD17B10 1879/4885MAPT 3109/4885HDAC1 811/4885

“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.