SCHEMBL25269396

SCHEMBL25269396

c1cnc2ncnc(N3CC4(CCNCC4)C3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.54
▸ HSD17B10 Q99714 7/20 0.54
▸ HPGD P15428 4/20 0.54
▸ CYP1A2 P05177 6/20 0.52
▸ CYP2D6 P10635 9/20 0.45
▸ TSHR P16473 7/20 0.44
▸ CYP3A4 P08684 7/20 0.44
▸ USP2 O75604 5/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 2/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL30456080 1.00 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL25627535 0.83 HRH4 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL2797263 0.81 HTR2C (0.55) CYP1A2CYP3A4HTR2CKDM4E
SCHEMBL25273633 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL25630826 0.80 JAK3 (0.37) ALDH1A1HSD17B10HPGDCYP3A4USP2
SCHEMBL31027412 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL25275190 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL31501705 0.78 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL31540828 0.75 CYP1A2 (0.46) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL25725483 0.73 HRH4 (0.34) TSHRSMN1; SMN2MEN1KMT2ATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. 2025-05-22 — — US disclosed
US-20250066358-A1 Inhibitors of Menin-MLL Interaction BALA THERAPEUTICS, INC. 2025-02-27 — — US disclosed
EP-4444313-A1 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
CN-118647378-A Inhibitors of Mei Nen protein interaction with MLL 巴拉疗法公司 2024-09-13 — — CN disclosed
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — 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 (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-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, BMI1 ALDH1A1 3650/4885HSD17B10 1866/4885HPGD 2981/4885
US-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 ALDH1A1 3650/4885HSD17B10 1866/4885HPGD 2981/4885

“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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