SCHEMBL21818768

SCHEMBL21818768

COC(=O)c1ccc2nc(C)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DYRK1A Q13627 1/20 0.44
COMT P21964 1/20 0.44
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL26096701 0.83 KDM4E (0.41) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL31001828 0.82 DYRK1A (0.47) KMT2AKDM4EDYRK1ACOMTLMNA
SCHEMBL3755194 0.82 DYRK1A (0.51) KMT2AKDM4EL3MBTL1DYRK1ACOMT
SCHEMBL23529941 0.82 KDM4E (0.46) KMT2AMEN1KDM4EL3MBTL1DYRK1A
SCHEMBL23554589 0.80 KDM4E (0.41) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL23530020 0.80 KDM4E (0.43) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL23530094 0.80 KDM4E (0.41) KMT2AMEN1KDM4EL3MBTL1MAPK1
Potassium Ion SCHEMBL21818345 0.79 DYRK1A (0.45) KMT2AKDM4EDYRK1ACOMTLMNA
SCHEMBL15830690 0.76 CSNK1D (0.51) HSD17B10PIK3CA
SCHEMBL297434 0.76 MAPK1 (0.47) KMT2AMEN1KDM4EL3MBTL1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 EP disclosed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed
US-20200102303-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (3 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 KMT2A 4194/4885MEN1 3515/4885KDM4E 4228/4885
US-20200102303-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KMT2A 1069/4885MEN1 4128/4885KDM4E 2437/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 KMT2A 2933/4885MEN1 4169/4885KDM4E 3564/4885

“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.