SCHEMBL31501697

SCHEMBL31501697

C(#Cc1ccc2ncnc(N3CC4(CCNCC4)C3)c2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 14/20 0.47
▸ CYP3A4 P08684 12/20 0.47
▸ CLK4 Q9HAZ1 7/20 0.47
▸ HSD17B10 Q99714 7/20 0.45
▸ HPGD P15428 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.43
▸ CYP2C19 P33261 6/20 0.43
▸ USP2 O75604 6/20 0.43
▸ TSHR P16473 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ IP6K1 Q92551 1/20 0.42
▸ IP6K3 Q96PC2 1/20 0.42
▸ IP6K2 Q9UHH9 1/20 0.42
▸ CYP2D6 P10635 5/20 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
SCHEMBL25233084 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL25725389 0.86 ALDH1A1 (0.47) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL25630734 0.84 CYP1A2 (0.42) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL25229495 0.83 PDGFRB (0.39) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL25273633 0.81 ALDH1A1 (0.51) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL25227852 0.80 HTT (0.44) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL31501711 0.80 HTT (0.44) CYP1A2CYP3A4CLK4HSD17B10HPGD
SCHEMBL25725354 0.78 EGFR (0.41) CYP1A2CYP3A4CLK4HPGDLMNA
SCHEMBL25272648 0.77 KIT (0.49) CYP1A2CYP3A4HSD17B10HPGDALDH1A1
SCHEMBL30456407 0.77 KIT (0.49) CYP1A2CYP3A4HSD17B10HPGDALDH1A1

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-20250066358-A1 Inhibitors of Menin-MLL Interaction BALA THERAPEUTICS, INC. 2025-02-27 — — 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-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 CYP1A2 3937/4885CYP3A4 4263/4885CLK4 3088/4885

“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.

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