SCHEMBL20132979

SCHEMBL20132979

In1c2ccncc2c2ccc(-c3ccncc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.40
CLK1 P49759 1/20 0.38
CHEK1 O14757 2/20 0.38
PDPK1 O15530 2/20 0.37
QDPR P09417 1/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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 0.91 MAOA (0.41) METAP2MAOAMAOBACHEHTR6
SCHEMBL20133255 0.86 CYP2A6 (0.44) METAP2CHEK1
SCHEMBL26789057 0.80 MAOA (0.44) MAOAMAOBACHEHTR6
SCHEMBL20132976 0.80 METAP2 (0.43) METAP2MAOAMAOBACHELMNA
SCHEMBL20443474 0.80 METAP2 (0.33) METAP2CLK1MAOAMAOBACHE
SCHEMBL22906839 0.79 ACHE (0.42) MAOAMAOBACHEMAPT
SCHEMBL21658134 0.75 MAOA (0.59) MAOAMAOBACHE
SCHEMBL27100914 0.75 MAOA (0.35) METAP2MAOAMAOBACHE
SCHEMBL20133198 0.75 CYP2A6 (0.46) METAP2CHEK1
SCHEMBL22906917 0.72 ATM (0.50) MAOAMAOBACHE

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 METAP2 1019/4885CLK1 410/4885CHEK1 743/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 METAP2 954/4885CLK1 572/4885CHEK1 702/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 METAP2 1019/4885CLK1 410/4885CHEK1 743/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 METAP2 1019/4885CLK1 410/4885CHEK1 743/4885

“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.