SCHEMBL20133346

SCHEMBL20133346

In1c2ccncc2c2ccc(N3CCCCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.42
CDK8 P49336 4/20 0.42
CHKA P35790 1/20 0.41
TERT O14746 3/20 0.40
HSD17B10 Q99714 1/20 0.37
KHK P50053 3/20 0.36
HIPK2 Q9H2X6 1/20 0.36
MAP4K4 O95819 1/20 0.36
S100B P04271 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20133001 0.86 ADRB2 (0.46) KHKALDH1A1
SCHEMBL22906920 0.80 CHKA (0.38) CCNCCDK8CHKATERTHSD17B10
SCHEMBL26789057 0.74 MAOA (0.44) ALDH1A1
SCHEMBL20133002 0.74 MAPT (0.39) CCNCCDK8CHKAHIPK2ALDH1A1
SCHEMBL22906839 0.73 ACHE (0.42) MAPT
SCHEMBL22907444 0.72 KHK (0.46) CCNCCDK8KHKMAPTMEN1
SCHEMBL20132979 0.72 METAP2 (0.40) MAPTLMNA
SCHEMBL20128550 0.70 KIF11 (0.50) CCNCCDK8CHKATERTHSD17B10
SCHEMBL29773858 0.70 ADRB2 (0.46) KHK
SCHEMBL20120429 0.70 ADRB2 (0.46) KHK

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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 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 (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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CCNC 1532/4885CDK8 1267/4885CHKA 1042/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CCNC 1877/4885CDK8 691/4885CHKA 2211/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CCNC 1532/4885CDK8 1267/4885CHKA 1042/4885

“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.