SCHEMBL21362902

SCHEMBL21362902

CCc1ccn2cncc2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL15296575 0.75 IDO1 (0.39) IDO1KDM4EALDH1A1L3MBTL1
SCHEMBL21025471 0.74 IDO1 (0.36) IDO1KDM4E
SCHEMBL22607314 0.74 IDO1 (0.31) IDO1
SCHEMBL26247375 0.73 NPC1 (0.41) KDM4EALDH1A1L3MBTL1
SCHEMBL24984454 0.73 IDO1 (0.33) IDO1
SCHEMBL9934402 0.71 IDO1 (0.39) IDO1
SCHEMBL12223303 0.70 DRD2 (0.47) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL21362935 0.70 IDO1 (0.36) IDO1
SCHEMBL4485534 0.70 IDO1 (0.36) IDO1
SCHEMBL18777238 0.67 ALDH1A1 (0.36) KDM4EALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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 (2 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP IDO1 2399/4885KDM4E 3935/4885ALDH1A1 3097/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT IDO1 1653/4885KDM4E 3060/4885ALDH1A1 2151/4885

“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.