SCHEMBL10259986

SCHEMBL10259986

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
BCHE P06276 1/20 0.59
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 4/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
AKR1C3 P42330 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL914889 0.84 ACHE (0.61) ACHECA1CA2BCHEALDH1A1
SCHEMBL916414 0.81 CA1 (0.58) ACHECA1CA2BCHEALDH1A1
SCHEMBL11340660 0.81 ACHE (0.58) ACHECA1CA2BCHEALDH1A1
SCHEMBL5663666 0.78 CA1 (0.54) ACHECA1CA2BCHEALDH1A1
SCHEMBL2596732 0.77 CA1 (0.74) ACHECA1CA2BCHEALDH1A1
SCHEMBL2031961 0.77 CA1 (0.56) ACHECA1CA2BCHEALDH1A1
SCHEMBL17652639 0.76 CA1 (0.49) ACHECA1CA2BCHEALDH1A1
SCHEMBL5488946 0.76 HPGD (0.52) ACHEALDH1A1CYP3A4TSHRKDM4E
SCHEMBL12225569 0.76 CA1 (0.55) ACHECA1CA2BCHEALDH1A1
SCHEMBL2034975 0.75 HSD17B10 (0.54) ACHECA1CA2BCHEALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACHE 4870/4885CA1 4430/4885CA2 1560/4885

“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.