SCHEMBL20133002

SCHEMBL20133002

In1c2ccncc2c2ccc(N3CCCCC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SMPD3 Q9NY59 4/20 0.38
CDK4 P11802 2/20 0.38
CDK6 Q00534 2/20 0.38
PARP1 P09874 2/20 0.36
HIPK2 Q9H2X6 1/20 0.36
GRM2 Q14416 1/20 0.35
PIM1 P11309 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HTT P42858 1/20 0.33
CHKA P35790 1/20 0.33

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
SCHEMBL20133003 0.87 CDK4 (0.40) MAPTCDK4CDK6ALDH1A1MAPK1
SCHEMBL16943593 0.84 GRM2 (0.45) MAPTSMPD3CDK4CDK6PARP1
SCHEMBL18354211 0.80 MAPT (0.42) MAPTSMPD3CDK4CDK6PARP1
SCHEMBL20133346 0.74 CCNC (0.42) MAPTHIPK2ALDH1A1MAPK1TDP1
SCHEMBL18354208 0.73 MAPT (0.44) MAPTPARP1ALDH1A1
SCHEMBL18354815 0.71 MAPT (0.48) MAPTSMPD3POLBCCNCCDK8
SCHEMBL16942998 0.71 MAPT (0.43) MAPTCDK4CDK6PARP1ALDH1A1
SCHEMBL18381094 0.71 MAPT (0.43) MAPTCDK4PARP1GRM2ALDH1A1
SCHEMBL18354319 0.70 MAPT (0.46) MAPTCDK4CDK6GRM2ALDH1A1
SCHEMBL16943377 0.70 MAPT (0.46) MAPTCDK4CDK6GRM2ALDH1A1

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-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 (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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 MAPT 5/4885SMPD3 4561/4885CDK4 1012/4885

“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.