SCHEMBL31696698

SCHEMBL31696698

CN1CCN(c2ccc3nccn3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ NAMPT P43490 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MELK Q14680 1/20 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
SCHEMBL12411745 0.85 DYRK1A (0.46) KMT2AMEN1NAMPTKEAP1DYRK1A
SCHEMBL31696709 0.81 NAMPT (0.51) KMT2AGAAMEN1NAMPTMAPT
SCHEMBL14656557 0.81 NAMPT (0.52) KMT2AMEN1NAMPTMAPTKDM4E
SCHEMBL8257266 0.81 HTR2C (0.48) KMT2AMEN1KEAP1DYRK1ACYP1A2
SCHEMBL15174657 0.78 SYK (0.40) KMT2AGAAMEN1GLANAMPT
SCHEMBL31696699 0.77 MEN1 (0.51) KMT2AGAAMEN1GLAKDM4E
SCHEMBL16964271 0.75 ACVR1 (0.50) KMT2AGAAMEN1GLAKDM4E
SCHEMBL31587990 0.75 NAMPT (0.57) KMT2AMEN1NAMPTMAPTALDH1A1
SCHEMBL15174406 0.74 GAA (0.44) KMT2AGAAMEN1GLAMAPT
SCHEMBL31356621 0.73 FASN (0.46) KMT2AMEN1NAMPTKEAP1DYRK1A

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-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA, INC. 2025-10-09 — — 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-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIT, PRKCH, PRKCB KMT2A 737/4885GAA 1206/4885MEN1 1849/4885

“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.

Send feedback