SCHEMBL31370271

SCHEMBL31370271

N[C@@H](Cc1ccc(-c2c[nH]c3ncccc23)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.62
CIT O14578 4/20 0.53
NEK2 P51955 1/20 0.50
PLK1 P53350 1/20 0.50
GRM8 O00222 1/20 0.49
GRM4 Q14833 1/20 0.49
CDC7 O00311 2/20 0.47
AKT1 P31749 1/20 0.47
CAMKK1 Q8N5S9 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
TPH1 P17752 1/20 0.45
DYRK1A Q13627 5/20 0.45
GSK3B P49841 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
ROCK2 O75116 1/20 0.44

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
SCHEMBL28562654 0.80 KMT2A (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12223910 0.80 KMT2A (0.62) CAMKK2GRM8GRM4
SCHEMBL858447 0.80 CAMKK2 (0.56) CAMKK2CDC7DYRK1AGSK3BCDK9
SCHEMBL249328 0.80 KMT2A (0.62) CAMKK2GRM8GRM4
SCHEMBL1520374 0.80 KMT2A (0.62) CAMKK2GRM8GRM4
SCHEMBL29406016 0.80 KMT2A (0.62) CAMKK2GRM8GRM4
SCHEMBL30759412 0.80 KMT2A (0.62) CAMKK2GRM8GRM4
SCHEMBL30405958 0.80 KMT2A (0.62) CAMKK2GRM8GRM4
Water SCHEMBL1177070 0.79 KMT2A (0.60) CAMKK2GRM8GRM4
Water SCHEMBL1177069 0.79 KMT2A (0.60) CAMKK2GRM8GRM4

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CAMKK2 1992/4885CIT 3056/4885NEK2 2184/4885

“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.