SCHEMBL24706346

SCHEMBL24706346

N#CC(C#N)=NNc1cnc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RIPK1 Q13546 4/20 0.46
▸ KIT P10721 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CDK8 P49336 3/20 0.41
▸ AXL P30530 1/20 0.41

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
SCHEMBL24706318 0.77 CYP3A4 (0.55) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL24707363 0.76 ALDH1A1 (0.45) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL24706317 0.75 NPSR1 (0.49) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL24706330 0.72 MAPT (0.42) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL24705914 0.72 MAPT (0.43) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL24706992 0.71 MAPT (0.44) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL1683410 0.70 ULK1 (0.55) RIPK1KITCDK8AXLPIK3CD
SCHEMBL24130673 0.69 ALDH1A1 (0.50) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9
SCHEMBL29375909 0.69 CDK8 (0.49) RIPK1KITCDK8AXLPIK3CD
SCHEMBL24706027 0.69 NPSR1 (0.43) CYP3A4ALDH1A1HIF1ACYP1A2CYP2C9

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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — 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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT CYP3A4 215/4885ALDH1A1 402/4885HIF1A 909/4885

“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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