SCHEMBL20133003

SCHEMBL20133003

In1c2ccncc2c2ccc(N3CCNCC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.40
CDK6 Q00534 4/20 0.40
MAPT P10636 3/20 0.40
HTR2C P28335 2/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTT P42858 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
SCHEMBL20133002 0.87 MAPT (0.39) CDK4CDK6MAPTALDH1A1MAPK1
SCHEMBL16942998 0.85 MAPT (0.43) CDK4CDK6MAPTHTR2CHTR3E
SCHEMBL20133001 0.75 ADRB2 (0.46) CDK4CDK6HTR3EHTR3BALDH1A1
SCHEMBL18354211 0.72 MAPT (0.42) CDK4CDK6MAPTALDH1A1CYP1A2
SCHEMBL16943593 0.71 GRM2 (0.45) CDK4CDK6MAPTALDH1A1KDM4E
SCHEMBL20128555 0.71 MAPT (0.74) MAPT
SCHEMBL18354208 0.71 MAPT (0.44) MAPTHTR3EHTR3BALDH1A1HTR3A
SCHEMBL18381094 0.69 MAPT (0.43) CDK4MAPTHTR3EHTR3BALDH1A1
SCHEMBL18354815 0.69 MAPT (0.48) MAPTHTT
SCHEMBL29889574 0.69 HTR3E (0.64) HTR2CHTR3EHTR3BALDH1A1HTR3A

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 CDK4 1012/4885CDK6 1067/4885MAPT 5/4885

“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.