SCHEMBL5582022

SCHEMBL5582022

COc1c(Br)cc(-c2cccc([N+](=O)[O-])c2)c2cnc(N(C)C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
PDE4D Q08499 4/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE5A O76074 1/20 0.37
ADK P55263 1/20 0.37
PDE4C Q08493 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL5582130 0.88 POLB (0.41) ABCG2POLBCYP1A2PDE4DPDE4A
SCHEMBL5581884 0.83 AKR1C3 (0.44) ABCG2POLBCYP1A2PDE4DPDE4B
SCHEMBL5581890 0.83 PDE4A (0.46) POLBCYP1A2PDE4DPDE4APDE4B
SCHEMBL5582200 0.83 MAPT (0.43) PDE4DPDE4APDE4BNPC1PDE4C
SCHEMBL5581752 0.71 PDE4A (0.45) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL5582131 0.70 MAPT (0.43) POLBCYP1A2RAB9APDE5AAKR1C3
SCHEMBL5582128 0.70 MAPT (0.43) POLBCYP1A2RAB9APDE5AAKR1C3
SCHEMBL5581996 0.70 AKR1C3 (0.46) ABCG2POLBPDE4DPDE4BAKR1C3
SCHEMBL5581717 0.70 TSHR (0.39) PDE4DPDE4APDE4BNPC1PDE5A
SCHEMBL5581989 0.70 DHFR (0.51) PDE4DPDE4APDE4BPDE4CMEN1

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 ABCG2 41/4885POLB 3974/4885CYP1A2 55/4885

“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.