SCHEMBL16892170

SCHEMBL16892170

COCc1ccc(CO)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
RET P07949 2/20 0.36
PIK3CA P42336 2/20 0.35
PI4KA P42356 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.34
CCR1 P32246 1/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL16263884 0.82 HRH3 (0.40) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL30832042 0.81 PIK3CD (0.38) NPC1RAB9APOLBRETPIK3CA
SCHEMBL12421138 0.80 S1PR1 (0.36) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL18929550 0.80 TRPV1 (0.37) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL18099728 0.80 HTR2A (0.36) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL4140258 0.79 CCR1 (0.41) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL25957715 0.79 NPC1 (0.35) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL16260524 0.78 ESR1 (0.38) NPC1RAB9APOLBRETPIK3CA
SCHEMBL2380517 0.78 HRH3 (0.50) NPC1RAB9APOLBPIK3CAPI4KA
SCHEMBL28648474 0.78 ALDH1A1 (0.43) NPC1RAB9APOLBRETPIK3CA

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 17 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-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
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
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
CN-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN disclosed
CN-110294732-B Pharmaceutical compound for treating liver diseases and application thereof 江苏新元素医药科技有限公司 2021-10-26 CN disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
CN-112979655-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2021-06-18 CN disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 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 (5 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 NPC1 1320/4885RAB9A 4055/4885POLB 3160/4885
US-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC NPC1 3952/4885RAB9A 1975/4885POLB 2986/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 NPC1 357/4885RAB9A 3820/4885POLB 3951/4885
US-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC NPC1 4174/4885RAB9A 1999/4885POLB 2815/4885
US-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK NPC1 4039/4885RAB9A 2243/4885POLB 3918/4885

“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.