SCHEMBL23768206

SCHEMBL23768206

CCCCCC(C)(C)Nc1cc(N(C)C)ncn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 3/20 0.40
▸ JAK3 P52333 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ELOVL1 Q9BW60 1/20 0.30

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
SCHEMBL21016702 0.76 JAK3 (0.38) JAK3CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL21091671 0.75 CNR2 (0.34) DNM2CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL20122627 0.71 DNM2 (0.34) DNM2CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL21016705 0.70 DNM2 (0.50) DNM2JAK3CYP1A2CYP2D6ALDH1A1
SCHEMBL20620243 0.66 NPC1 (0.40) CYP1A2ALDH1A1CYP2C19HSD17B10
SCHEMBL23720420 0.66 ALOX12 (0.48) CACNA2D1CYP2C19
SCHEMBL19352969 0.66 ALOX12 (0.48) CACNA2D1CYP2C19
SCHEMBL23768081 0.65 DNM2 (0.36) DNM2
SCHEMBL10444895 0.65 KMT2A (0.36) CYP1A2CYP2C19
SCHEMBL23768196 0.64 ALDH1A1 (0.34) ALDH1A1

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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 — — 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 DNM2 1730/4885JAK3 2/4885CACNA2D1 4519/4885

“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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