SCHEMBL22130302

SCHEMBL22130302

Cn1ncnc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
KEAP1 Q14145 1/20 0.41
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL18648152 0.83 EGLN2 (0.44) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL24185639 0.80 NPC1 (0.39) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL822672 0.79 NR1H2 (0.47) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL9007470 0.78 GAA (0.41) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL17752219 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL17754091 0.77 PDE2A (0.39) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL3385973 0.76 FLT3 (0.51) KDR
SCHEMBL31398250 0.76 CA2 (0.42) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL18754923 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL3330685 0.74 GPR119 (0.46) ALDH1A1KDM4ERAB9ATP53GAA

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 5 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
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO 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 ALDH1A1 1008/4885KDM4E 1621/4885NPC1 1264/4885
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 ALDH1A1 402/4885KDM4E 1271/4885NPC1 3755/4885

“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.