SCHEMBL21454056

SCHEMBL21454056

O=S(=O)(c1ccc(N2c3ccccc3C3(c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc32)cc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.42
CYP2C9 P11712 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
MAPK1 P28482 1/20 0.40
NAPRT Q6XQN6 1/20 0.38
MEN1 O00255 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL21453641 0.88 HTR6 (0.45) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19846001 0.88 NAMPT (0.40) NAMPTCYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL21454059 0.82 NAMPT (0.42) NAMPTCYP2C9NAPRTABCC9ABCC8
SCHEMBL30450889 0.81 HTR6 (0.41) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20689906 0.80 HTT (0.46) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20383146 0.78 PKM (0.40) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21453943 0.78 HTT (0.50) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20689853 0.76 HTT (0.49) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19846029 0.76 HTR6 (0.38) NAMPTCYP2C9ALDH1A1
SCHEMBL19846048 0.76 HTR6 (0.38) NAMPTNAPRTABCC9ABCC8KCNJ11

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 NAMPT 3550/4885CYP2C9 729/4885ALDH1A1 569/4885

“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.