SCHEMBL21362935

SCHEMBL21362935

CNc1ccn2cncc2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
NCF1 P14598 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TGFBR2 P37173 2/20 0.31
MAPT P10636 1/20 0.31
ACVR2A P27037 1/20 0.30
TGFBR1 P36897 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) IDO1MAPT
SCHEMBL21362902 0.70 IDO1 (0.36) IDO1
SCHEMBL19957576 0.70 HRH4 (0.42) MAPT
SCHEMBL21025471 0.70 IDO1 (0.36) IDO1
SCHEMBL24377585 0.67 MAP3K5 (0.34) MAPT
SCHEMBL24984454 0.66 IDO1 (0.33) IDO1
SCHEMBL22835342 0.66 PTGS1 (0.45) IDO1MEN1KMT2A
SCHEMBL17626891 0.64 NCF1 (0.34) NCF1MEN1KMT2ATGFBR2MAPT
SCHEMBL21646361 0.64 EGFR (0.33) IDO1
SCHEMBL13073615 0.64 PCSK9 (0.44) NCF1MEN1KMT2ATGFBR2ACVR2A

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-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 (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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP IDO1 2399/4885NCF1 847/4885MEN1 3454/4885

“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.