SCHEMBL25001258

SCHEMBL25001258

C/C(N)=C/c1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.58
▸ CYP2A6 P11509 1/20 0.55
▸ IMPDH2 P12268 1/20 0.55
▸ HPGD P15428 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ MAPT P10636 5/20 0.51
▸ GAA P10253 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SENP7 Q9BQF6 2/20 0.47
▸ PBRM1 Q86U86 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL13811016 0.85 APP (0.62) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL8739807 0.83 CYP2A6 (0.53) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL24631364 0.83 APP (0.53) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL29827716 0.79 CYP2A6 (0.61) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL14320159 0.79 APP (0.55) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL15487095 0.78 CYP2A6 (0.54) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL7773883 0.78 CYP2A6 (0.54) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL26552187 0.78 APP (0.71) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL15487094 0.78 CYP2A6 (0.54) APPCYP2A6IMPDH2HPGDHTT
SCHEMBL21665304 0.77 CAPN1 (0.59) KMT2AKDM4EMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045776-A9 TETRAHYDRO- PYRIDO[3,4- b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2023-02-09 — — 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-20230045776-A9 TETRAHYDRO- PYRIDO[3,4- b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 APP 1980/4885CYP2A6 222/4885IMPDH2 1765/4885

“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.

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