SCHEMBL10020874

SCHEMBL10020874

c1ccc(-c2cccc(-c3cccnc3)n2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.76
TP53 P04637 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CCR1 P32246 3/20 0.64
CCR5 P51681 3/20 0.64
CCR8 P51685 3/20 0.64
HSP90AA1 P07900 2/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALPL P05186 1/20 0.64
ALPI P09923 1/20 0.64
ALPG P10696 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL12575141 0.91 CYP2A6 (0.63) CYP2A6TP53SMN1; SMN2CCR1CCR5
SCHEMBL22521564 0.88 CYP2A6 (0.64) CYP2A6TP53SMN1; SMN2CCR1CCR5
SCHEMBL14297277 0.88 CYP2A6 (0.63) CYP2A6TP53SMN1; SMN2CCR1CCR5
SCHEMBL15459433 0.87 CYP2A6 (0.58) CYP2A6TP53SMN1; SMN2CCR1CCR5
SCHEMBL14297281 0.87 CYP2A6 (0.72) CYP2A6TP53SMN1; SMN2CCR1CCR5
[2,3'']Bipyridinyl SCHEMBL29389597 0.87 CYP2A6 (1.00) CYP2A6TP53SMN1; SMN2CCR1CCR5
[2,3'']Bipyridinyl SCHEMBL29360744 0.87 CYP2A6 (1.00) CYP2A6TP53SMN1; SMN2CCR1CCR5
[2,3'']Bipyridinyl SCHEMBL29486847 0.87 CYP2A6 (1.00) CYP2A6TP53SMN1; SMN2CCR1CCR5
[2,3'']Bipyridinyl SCHEMBL998601 0.87 CYP2A6 (1.00) CYP2A6TP53SMN1; SMN2CCR1CCR5
SCHEMBL3194702 0.87 CYP2A6 (0.74) CYP2A6TP53SMN1; SMN2HSP90AA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202326-A1 ANALYTE SENSORS WITH METAL-CONTAINING REDOX MEDIATORS AND METHODS OF USING THE SAME ABBOTT DIABETES CARE INC. (US) 2022-06-30 US disclosed
US-20190144587-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER ZEON CORPORATION (JP) 2019-05-16 US disclosed
US-20120052423-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-03-01 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-20220202326-A1 ANALYTE SENSORS WITH METAL-CONTAINING REDOX MEDIATORS AND METHODS OF USING THE SAME GPX4, LPO, PRDX3 CYP2A6 1699/4885TP53 1034/4885SMN1; SMN2 4523/4885

“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.