SCHEMBL31501683

SCHEMBL31501683

CNc1nc(N2CCC3(CCNCC3)CC2)c2cc(CC(F)(F)F)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.39
▸ TLR7 Q9NYK1 1/20 0.37
▸ CYP2D6 P10635 5/20 0.36
▸ USP2 O75604 3/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL31501704 0.92 HRH4 (0.43) NPY5RTLR7CYP2D6USP2MCHR1
SCHEMBL31501688 0.91 MAOB (0.35) NPY5RTLR7CYP2D6USP2MCHR1
SCHEMBL31501699 0.83 HRH4 (0.40) NPY5RTLR7CYP2D6USP2MCHR1
SCHEMBL25220725 0.81 HTT (0.48) CYP2D6USP2CYP3A4TSHRALDH1A1
SCHEMBL30405901 0.81 HTT (0.48) CYP2D6USP2CYP3A4TSHRALDH1A1
SCHEMBL31501614 0.79 MEN1 (0.38) KCNH2MEN1KMT2A
SCHEMBL31501674 0.77 MEN1 (0.39) KCNH2MEN1KMT2A
SCHEMBL25274694 0.75 CYP2D6 (0.41) CYP2D6USP2CYP3A4HRH4KCNH2
SCHEMBL31501603 0.73 MEN1 (0.41) MEN1KMT2A
SCHEMBL31501660 0.72 MEN1 (0.38) CYP2D6CYP3A4MEN1CYP2C9HPGD

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 NPY5R 4773/4885TLR7 4183/4885CYP2D6 4232/4885

“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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