SCHEMBL27137336

SCHEMBL27137336

Cc1nc(NCC2CN(C)CCO2)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HRH4 Q9H3N8 5/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ RAF1 P04049 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ IL1B P01584 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ FLT3 P36888 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
SCHEMBL27095184 1.00 IRAK4 (0.42) IRAK4HDAC1HDAC8HDAC6HRH4
Formic Acid SCHEMBL30838071 0.95 HDAC1 (0.40) IRAK4HDAC1HDAC8HDAC6HRH4
Fumaric Acid SCHEMBL30838000 0.93 IRAK4 (0.38) IRAK4HDAC1HDAC8HDAC6HRH4
Fumaric Acid SCHEMBL30838053 0.93 IRAK4 (0.38) IRAK4HDAC1HDAC8HDAC6HRH4
Hydrochloric Acid SCHEMBL30837998 0.85 PDE10A (0.42) IRAK4HDAC1HDAC8HDAC6HRH4
Formic Acid SCHEMBL30838087 0.81 HRH4 (0.41) HRH4CYP11B1CYP11B2AXLFLT3
Formic Acid SCHEMBL30838066 0.80 HRH4 (0.44) HRH4CYP11B1CYP11B2AXLFLT3
Formic Acid SCHEMBL30838073 0.79 PRKCQ (0.41) HRH4CYP11B1CYP11B2IL1B
SCHEMBL24288073 0.79 CYP11B1 (0.38) HRH4CYP11B1CYP11B2AXLTYRO3
SCHEMBL27095229 0.76 VNN1 (0.42) CYP11B1CYP11B2

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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 IRAK4 2416/4885HDAC1 1396/4885HDAC8 2499/4885

“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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