SCHEMBL2634683

SCHEMBL2634683

C=CP(=O)(C=C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TGM2 P21980 1/20 0.43
CA1 P00915 3/20 0.43
CES1 P23141 2/20 0.43
CA2 P00918 2/20 0.43
CES2 O00748 1/20 0.43
APP P05067 1/20 0.42
METAP1 P53582 1/20 0.42
LMNA P02545 2/20 0.41
FBP1 P09467 1/20 0.41
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.40
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL10976942 0.76 ALDH1A1 (0.52) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL3397975 0.72 ALDH1A1 (0.48) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL8002492 0.72 ALDH1A1 (0.48) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL11098219 0.72 ALDH1A1 (0.48) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL2034975 0.72 HSD17B10 (0.54) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL23270417 0.72 CA1 (0.57) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL2030364 0.72 ALDH1A1 (0.48) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL356640 0.72 CA2 (0.57) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL22567 0.72 ALDH1A1 (0.72) ALDH1A1ACHEHSD17B10CA1CES1
SCHEMBL27909482 0.72 ALDH1A1 (0.72) ALDH1A1ACHEHSD17B10CA1CES1

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 11 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-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO 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 (3 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-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 ALDH1A1 2303/4885ACHE 4782/4885HSD17B10 3829/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 ALDH1A1 985/4885ACHE 4833/4885HSD17B10 3646/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885ACHE 4870/4885HSD17B10 1879/4885

“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.