SCHEMBL21663754

SCHEMBL21663754

Cc1cc2ccn(C)c2nc1C#N

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
KDM4E B2RXH2 2/20 0.31
PIK3CB P42338 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PRKCI P41743 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
SCHEMBL21639451 0.81 XDH (0.32) XDHPIK3CB
SCHEMBL22004963 0.80 PIK3CB (0.35) XDHKDM4EPIK3CBPRKCI
SCHEMBL30503539 0.77 APP (0.34) KDM4EPIK3CBMAPTNPSR1PRKCI
SCHEMBL15205408 0.77 APP (0.34) KDM4EPIK3CBMAPTNPSR1PRKCI
SCHEMBL21663753 0.69 CDC7 (0.47) KDM4EPIK3CBALDH1A1MAPTSMN1; SMN2
SCHEMBL19203898 0.69 PIK3CB (0.41) KDM4EPIK3CBALDH1A1MAPTSMN1; SMN2
SCHEMBL21958556 0.69 KDM4E (0.44) XDHKDM4EPIK3CBALDH1A1GLA
SCHEMBL904725 0.69 HPGDS (0.43) KDM4EPIK3CBALDH1A1
SCHEMBL15205145 0.67 APP (0.35) PIK3CBPRKCI
SCHEMBL23937882 0.67 GRM1 (0.36) PIK3CBMAPTSMN1; SMN2

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-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 XDH 4449/4885USP8 4008/4885USP7 3413/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 XDH 4449/4885USP8 4008/4885USP7 3413/4885

“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.