SCHEMBL21663752

SCHEMBL21663752

N#Cc1cn2cc(-c3ccccc3)ncc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 7/20 0.49
ALDH1A1 P00352 5/20 0.44
ALDH1A2 O94788 1/20 0.44
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CHEK1 O14757 2/20 0.40
GSK3B P49841 1/20 0.40
SLC2A1 P11166 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL21689373 0.86 CTSS (0.43) ALDH1A3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL21639084 0.85 CTSS (0.41) ALDH1A3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL21663751 0.85 ALDH1A3 (0.39) ALDH1A3ALDH1A1ALDH1A2KDM4ENPC1
SCHEMBL18727810 0.76 PDCD1 (0.50) ALDH1A3ALDH1A1ALDH1A2KDM4ENPC1
SCHEMBL7941806 0.74 KCNH2 (0.34)
SCHEMBL21664098 0.72
SCHEMBL21663967 0.72 NPC1 (0.51) ALDH1A3ALDH1A1ALDH1A2KDM4ENPC1
SCHEMBL21663957 0.71 GRM5 (0.52) ALDH1A3ALDH1A1KDM4ECHEK1RET
SCHEMBL4179744 0.71 PTGS1 (0.37) ALDH1A1KDM4ETSHRRXFP1
SCHEMBL14076032 0.70 ALDH1A3 (0.56) ALDH1A3ALDH1A1ALDH1A2KDM4ENPC1

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 ALDH1A3 4766/4885ALDH1A1 4809/4885ALDH1A2 4462/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 ALDH1A3 4766/4885ALDH1A1 4809/4885ALDH1A2 4462/4885

“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.