SCHEMBL20156878

SCHEMBL20156878

Cc1ccnc(Cc2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
MMP2 P08253 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TBXAS1 P24557 3/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL13562418 0.82 NOS2 (0.53) CYP2D6KDM4EALDH1A1
SCHEMBL28839882 0.80 CYP1A2 (0.46) MMP2CYP1A2CYP2D6TBXAS1CYP11B1
SCHEMBL23206017 0.80 L3MBTL1 (0.44) CYP1A2CYP2D6KDM4EALDH1A1CYP11B1
SCHEMBL21241344 0.78 ALDH1A1 (0.49) CYP2A6CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL30932457 0.78 UHRF1 (0.54) CYP2A6KDM4EALDH1A1
SCHEMBL9923549 0.77 NR1D1 (0.48) CYP1A2CYP2D6KDM4EALDH1A1TBXAS1
SCHEMBL18459225 0.77 CHRNB2 (0.43) CYP1A2CYP2D6TBXAS1CHRNB2CHRNA4
SCHEMBL2129822 0.75 ACHE (0.46) KDM4ECYP11B1CYP11B2
SCHEMBL2749985 0.75 CYP1A2 (0.71) CYP2A6MMP2CYP1A2CYP2D6TBXAS1
SCHEMBL20228900 0.75 MAPT (0.50) CYP1A2CYP2D6ALDH1A1TBXAS1CHRNB2

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-20230174536-A1 NOVEL COMPOUNDS FOR DIAGNOSIS AC IMMUNE SA (CH) 2023-06-08 US disclosed
US-11031560-B2 Compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-06-08 US disclosed
US-20180138422-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-11031560-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 CYP2A6 723/4885MMP2 4645/4885CYP1A2 709/4885
US-20230174536-A1 NOVEL COMPOUNDS FOR DIAGNOSIS SNCA, PARK7, SLC6A3 CYP2A6 4404/4885MMP2 4236/4885CYP1A2 4576/4885
US-20180138422-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ESR1, ETV6 CYP2A6 723/4885MMP2 4645/4885CYP1A2 709/4885

“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.