SCHEMBL20133255

SCHEMBL20133255

In1c2ccncc2c2ccc(-c3cccnc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 8/20 0.44
CYP11B2 P19099 8/20 0.44
CYP19A1 P11511 4/20 0.44
CYP17A1 P05093 1/20 0.44
METAP2 P50579 1/20 0.44
CHEK1 O14757 2/20 0.43
FGFR1 P11362 2/20 0.42
PIK3CA P42336 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
HTR1D P28221 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 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
SCHEMBL22906551 0.90 MAOA (0.41) METAP2FGFR1PIK3CAMKNK1AURKA
SCHEMBL20133198 0.90 CYP2A6 (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL20132979 0.86 METAP2 (0.40) METAP2CHEK1
SCHEMBL20128557 0.82 CYP11B2 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL20133108 0.81 CYP2A6 (0.48) CYP2A6CYP1A2CYP3A4PIM1CLK4
SCHEMBL20133195 0.80 CYP2A6 (0.42) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL20133197 0.80 L3MBTL1 (0.43) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL20133194 0.80 METAP2 (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL22906797 0.79 METAP2 (0.41) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL20128559 0.79 MAOA (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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 (4 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CYP2A6 4070/4885ALDH1A1 3671/4885CYP1A2 4681/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CYP2A6 4674/4885ALDH1A1 4249/4885CYP1A2 4754/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CYP2A6 4070/4885ALDH1A1 3671/4885CYP1A2 4681/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CYP2A6 4070/4885ALDH1A1 3671/4885CYP1A2 4681/4885

“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.