SCHEMBL31501705

SCHEMBL31501705

CNc1nc(N2CC3(CCNCC3)C2)c2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ HSD17B10 Q99714 7/20 0.47
▸ HPGD P15428 4/20 0.47
▸ CYP1A2 P05177 5/20 0.46
▸ CYP2D6 P10635 9/20 0.40
▸ TSHR P16473 7/20 0.39
▸ CYP3A4 P08684 6/20 0.39
▸ USP2 O75604 5/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ MAPK1 P28482 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ HIF1A Q16665 1/20 0.34
▸ PRKCQ Q04759 2/20 0.34
▸ PRKCD Q05655 2/20 0.34
▸ PRKCA P17252 1/20 0.33
▸ PIK3CA P42336 2/20 0.33

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
SCHEMBL31501684 0.82 TSHR (0.48) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL30456080 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL25269396 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL31501723 0.73 PIK3R1 (0.38) ALDH1A1HPGDCYP2D6CYP3A4CYP2C19
SCHEMBL31501698 0.72 ROCK2 (0.40) CYP3A4PIK3CAMTORPIK3R1
SCHEMBL31501633 0.72 KCNH2 (0.44) MEN1KMT2APIK3CAMTORPIK3R1
SCHEMBL31501699 0.70 HRH4 (0.40) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL31501688 0.70 MAOB (0.35) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL31027440 0.68 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL13633931 0.67 PAK4 (0.52) ALDH1A1HSD17B10HPGD

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 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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