SCHEMBL15868176

SCHEMBL15868176

CNC(C)c1cccc(C(C)NC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ PGK1 P00558 2/20 0.34
▸ PGK2 P07205 2/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.32
▸ SLC18A2 Q05940 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PARP3 Q9Y6F1 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ GLA P06280 1/20 0.31

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
SCHEMBL9447422 0.87 IRAK4 (0.48) IRAK4MAP4K4ALDH1A1CYP2D6CYP3A4
SCHEMBL23226823 0.85 KCNH2 (0.40) IRAK4MAP4K4CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8980617 0.82 CYP2D6 (0.42) IRAK4TAAR1SLC6A4CYP2D6CYP3A4
SCHEMBL14614690 0.80 MEN1 (0.52) IRAK4ALDH1A1HTR2AHSD17B10MEN1
SCHEMBL15883118 0.75 KDM4E (0.41) IRAK4ALDH1A1SLC6A4GLAALOX15
SCHEMBL125581 0.75 SLC6A2 (0.47) ALDH1A1SLC6A4CYP2D6CYP3A4CHRM2
SCHEMBL13081517 0.75 SLC6A2 (0.47) ALDH1A1SLC6A4CYP2D6CYP3A4CHRM2
SCHEMBL12310369 0.75 SLC6A2 (0.47) ALDH1A1SLC6A4CYP2D6CYP3A4CHRM2
SCHEMBL21116000 0.74 IRAK4 (0.48) IRAK4MAP4K4
Hydrochloric Acid SCHEMBL28642995 0.73 SLC6A2 (0.45) ALDH1A1TAAR1SLC6A4CYP2D6CYP3A4

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-20140194627-A1 Zinc Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts DOW CORNING CORPORATION 2014-07-10 — — 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-20140194627-A1 Zinc Containing Hydrosilylation Catalysts and Compositions Containing the Catalysts ZRANB2, ZKSCAN2, SLC39A3 IRAK4 3660/4885PGK1 1974/4885PGK2 2331/4885

“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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