SCHEMBL31383589

SCHEMBL31383589

COC(=O)c1cnn2cc(N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 3/20 0.40
CFTR P13569 1/20 0.40
EPHB3 P54753 2/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
NR4A2 P43354 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1325106 0.83 CA12 (0.44) GAAALDH1A1KDM4EGLAKMT2A
SCHEMBL2059684 0.82 KMT2A (0.42) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL13883203 0.82 EPHB3 (0.40) GAAALDH1A1KDM4EGLAKMT2A
SCHEMBL3616031 0.82 LCK (0.45) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19
SCHEMBL30977391 0.82 EPHB3 (0.56) GAAALDH1A1KDM4EKMT2AEPHB3
SCHEMBL29585395 0.82 IRAK4 (0.44) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19
SCHEMBL31547045 0.81 NPC1 (0.48) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL25367703 0.79 ALDH1A1 (0.45) GAAALDH1A1KDM4EGLAKMT2A
SCHEMBL25366689 0.79 IRAK4 (0.42) GAAALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL30505984 0.79 EPHB3 (0.38) GAAALDH1A1KDM4EGLAKMT2A

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-20250051363-A1 Substituted Pyrazolopyridines NEURO3 THERAPEUTICS INC (US) 2025-02-13 US disclosed
WO-2025029897-A1 SUBSTITUTED PYRAZOLOPYRIDINES NEURO3 THERAPEUTICS, INC. (US) 2025-02-06 WO 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-20250051363-A1 Substituted Pyrazolopyridines QDPR, DPYD, P2RX4 GAA 2536/4885ALDH1A1 729/4885KDM4E 4204/4885

“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.