SCHEMBL25273633

SCHEMBL25273633

c1ccc2c(N3CC4(CCNCC4)C3)ncnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ CYP1A2 P05177 7/20 0.51
▸ HSD17B10 Q99714 6/20 0.51
▸ HPGD P15428 4/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.51
▸ TSHR P16473 5/20 0.50
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ HRH1 P35367 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CYP3A4 P08684 6/20 0.46
▸ USP2 O75604 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C19 P33261 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL31540828 0.82 CYP1A2 (0.46) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL25725472 0.82 HRH4 (0.69) ALDH1A1CYP1A2HSD17B10HPGDPTK2
SCHEMBL31501711 0.81 HTT (0.44) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL25233084 0.81 CYP1A2 (0.47) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL31501697 0.81 CYP1A2 (0.47) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL25227852 0.81 HTT (0.44) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL25269396 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL30456080 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2HSD17B10HPGDTSHR
SCHEMBL29936658 0.80 PTK2 (0.67) ALDH1A1CYP1A2HSD17B10HPGDPTK2
SCHEMBL1029331 0.80 PTK2 (0.67) ALDH1A1CYP1A2HSD17B10HPGDPTK2

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 8 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
EP-4444300-A2 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
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
WO-2023107696-A2 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 3650/4885CYP1A2 3937/4885HSD17B10 1866/4885
US-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 ALDH1A1 3650/4885CYP1A2 3937/4885HSD17B10 1866/4885

“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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