SCHEMBL259200

SCHEMBL259200

NC(=O)c1oc2ncccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 6/20 0.47
TP53 P04637 2/20 0.47
MAPK10 P53779 2/20 0.47
TSHR P16473 2/20 0.47
AHR P35869 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL259344 0.90 KDR (0.50) KDRALDH1A1MAPTTP53CYP11B1
SCHEMBL13298517 0.89 RAB9A (0.53) KDRALDH1A1MAPTMAPK10TSHR
SCHEMBL3728067 0.87 KDR (0.47) KDRALDH1A1MAPTTSHRHSD17B10
SCHEMBL259348 0.85 ALDH1A1 (0.66) KDRALDH1A1MAPTTP53MAPK10
SCHEMBL259197 0.84 KDM4E (0.50) KDRALDH1A1MAPTTSHRHSD17B10
SCHEMBL13298528 0.81 MAPT (0.56) ALDH1A1MAPTTP53MAPK10TSHR
SCHEMBL259193 0.79 RAB9A (0.53) KDRALDH1A1MAPTTP53MEN1
SCHEMBL259094 0.77 ALDH1A1 (0.46) ALDH1A1MAPTTP53MAPK10TSHR
SCHEMBL259335 0.75 ALDH1A1 (0.53) KDRALDH1A1MAPTTP53MAPK10
SCHEMBL259353 0.74 MEN1 (0.70) ALDH1A1MAPTTP53MAPK10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDR 628/4885ALDH1A1 4428/4885MAPT 3923/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDR 628/4885ALDH1A1 4428/4885MAPT 3923/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDR 628/4885ALDH1A1 4428/4885MAPT 3923/4885

“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.