SCHEMBL5581884

SCHEMBL5581884

COc1ccc(-c2cccc([N+](=O)[O-])c2)c2cnc(N(C)C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PDE4D Q08499 3/20 0.43
PDE4B Q07343 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMO O15229 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MET P08581 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
SCHEMBL5581996 0.87 AKR1C3 (0.46) AKR1C3AKR1C2PDE4DPDE4BABCG2
SCHEMBL5582022 0.83 ABCG2 (0.40) AKR1C3AKR1C2PDE4DPDE4BABCG2
SCHEMBL5581720 0.81 MAPT (0.51) PDE4DPDE4BL3MBTL1MAPTALDH1A1
SCHEMBL5582203 0.79 HPGDS (0.47) PDE4DABCG2LMNACYP1A2MEN1
SCHEMBL5581890 0.78 PDE4A (0.46) AKR1C3AKR1C2PDE4DPDE4BPOLB
SCHEMBL3037892 0.71 ADORA1 (0.47) AKR1C3AKR1C2PDE4DPDE4BL3MBTL1
SCHEMBL5582130 0.70 POLB (0.41) AKR1C3AKR1C2PDE4DPDE4BABCG2
SCHEMBL3787713 0.69 AKR1C3 (0.60) AKR1C3AKR1C2ABCG2POLBL3MBTL1
SCHEMBL6756916 0.69 PDE4D (0.54) AKR1C3AKR1C2PDE4DPDE4BPOLB
SCHEMBL3037890 0.69 AKR1C3 (0.49) AKR1C3AKR1C2PDE4DPDE4BABCG2

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-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 AKR1C3 1137/4885AKR1C2 970/4885PDE4D 1754/4885

“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.