SCHEMBL22130152

SCHEMBL22130152

Nc1ccc(-c2ccc3ncsc3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.70
VRK1 Q99986 1/20 0.50
FFAR1 O14842 1/20 0.48
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HKDC1 Q2TB90 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 2/20 0.46
RIPK1 Q13546 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LIMK1 P53667 1/20 0.42
PFKFB3 Q16875 1/20 0.42
MAPK14 Q16539 1/20 0.42
PIK3CA P42336 2/20 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
SCHEMBL31214345 0.88 DYRK1A (0.72) DYRK1AVRK1FFAR1KDM4ENPC1
SCHEMBL13394464 0.85 DYRK1A (0.51) DYRK1AFFAR1KDM4ENPC1RAB9A
SCHEMBL116883 0.84 DYRK1A (0.58) DYRK1AVRK1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3307019 0.84 DYRK1A (0.50) DYRK1AFFAR1KDM4ENPC1RAB9A
SCHEMBL6032917 0.83 DYRK1A (0.62) DYRK1AVRK1FFAR1KDM4ENPC1
Hydrochloric Acid SCHEMBL8990150 0.82 DYRK1A (0.56) DYRK1AVRK1KDM4ENPC1RAB9A
SCHEMBL24155396 0.81 DYRK1A (0.60) DYRK1AVRK1FFAR1KDM4ENPC1
SCHEMBL6658073 0.81 DYRK1A (0.60) DYRK1AVRK1FFAR1KDM4ENPC1
SCHEMBL16573976 0.81 DYRK1A (0.60) DYRK1AVRK1FFAR1KDM4ENPC1
SCHEMBL27558183 0.81 DYRK1A (0.60) DYRK1AVRK1FFAR1KDM4ENPC1

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 DYRK1A 1279/4885VRK1 2254/4885FFAR1 2865/4885
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 DYRK1A 3095/4885VRK1 3089/4885FFAR1 3432/4885

“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.