SCHEMBL521814

SCHEMBL521814

Nc1ccc2ncn(CCN3CCOCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 5/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CDK9 P50750 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TGFBR1 P36897 1/20 0.41
TGFBR2 P37173 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FGFR1 P11362 2/20 0.40
SRC P12931 2/20 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
SCHEMBL521597 0.89 HSD17B10 (0.64) HSD17B10MAPTKDM4EHDAC1HDAC2
SCHEMBL3352914 0.89 HSD17B10 (0.51) HSD17B10MAPTKDM4EHDAC1TDP1
SCHEMBL16041430 0.83 MAPK1 (0.46) HSD17B10MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL17678352 0.83 ALDH1A1 (0.51) HSD17B10MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL24166881 0.82 ACVR1 (0.56) HSD17B10KDM4ESMN1; SMN2GAATDP1
SCHEMBL30656805 0.82 ACVR1 (0.56) HSD17B10KDM4ESMN1; SMN2GAATDP1
SCHEMBL4237481 0.81 MAPK1 (0.45) HSD17B10KDM4EHDAC1HDAC2MAPK1
SCHEMBL21025782 0.80 SIGMAR1 (0.48) HSD17B10KDM4EMAPK1SMN1; SMN2CDK9
SCHEMBL6871616 0.80 TDP1 (0.69) HSD17B10KDM4EMAPK1SMN1; SMN2TDP1
SCHEMBL24233571 0.79 KDM5A (0.53) MAPTKDM4EHDAC1HDAC2MAPK1

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 3109/4885KDM4E 192/4885

“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.