Sugi Predict

Sugi Predict / Compounds / SCHEMBL23926516

SCHEMBL23926516

SCHEMBL23926516

CN(C)C(=O)c1cc2cc(NN=C(C#N)C#N)cnc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.42
▸ AURKA O14965 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL28649993 0.86 MAPT (0.38) ALDH1A1MAPTTDP1NPSR1CYP3A4
SCHEMBL31219302 0.85 MAPT (0.39) ALDH1A1MAPTTDP1NPSR1NR1H2
SCHEMBL31349401 0.82 SMN1; SMN2 (0.35) MAPTSMN1; SMN2HSD17B10LMNA
SCHEMBL23926520 0.76 CDK2 (0.48) CDK2AURKANR1H2NR1H3CCNA2
SCHEMBL31219269 0.73 MAPT (0.37) ALDH1A1MAPTTDP1NPSR1CYP3A4
SCHEMBL23926510 0.73 CDK2 (0.46) CDK2AURKAALDH1A1MAPTNPSR1
SCHEMBL31219297 0.73 MAPT (0.34) ALDH1A1MAPTTDP1NPSR1CYP3A4
SCHEMBL28656410 0.72 MAPT (0.44) ALDH1A1MAPTTDP1NPSR1CYP3A4
SCHEMBL18181365 0.71 CDK2 (0.47) CDK2AURKANR1H2NR1H3CCNA2
SCHEMBL24707367 0.69 ALDH1A1 (0.42) ALDH1A1MAPTTDP1NPSR1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590071-B2 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) 2026-03-31 — — US disclosed
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 — — CN disclosed
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
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP 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 (2 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-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 CDK2 4016/4885AURKA 2230/4885ALDH1A1 1008/4885
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 CDK2 2511/4885AURKA 226/4885ALDH1A1 402/4885

“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.