SCHEMBL12428155

SCHEMBL12428155

CC(C)c1cc(F)ccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
PDE2A O00408 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
KCNH2 Q12809 6/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2A P28223 2/20 0.38
GPR3 P46089 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
EPHX2 P34913 1/20 0.36
FFAR1 O14842 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
APP P05067 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL16807793 0.87 HTR2A (0.37) KCNK3KCNK9PDE2AHRH4KCNH2
SCHEMBL23761275 0.86 PDE2A (0.44) KCNK3KCNK9PDE2AHRH4KCNH2
SCHEMBL16961214 0.86 PDE2A (0.38) KCNK3KCNK9PDE2AHRH4KCNH2
SCHEMBL18355895 0.85 KCNH2 (0.41) KCNK3KCNK9HRH4KCNH2SLC6A4
SCHEMBL12868968 0.85 KCNK3 (0.43) KCNK3KCNK9PDE2AHRH4KCNH2
SCHEMBL12868612 0.81 PDE2A (0.44) KCNK3KCNK9PDE2ASLC6A4GPR3
SCHEMBL14654021 0.81 PDE2A (0.46) KCNK3KCNK9PDE2AEPHX2TRPV1
SCHEMBL13211723 0.81 LMNA (0.41) KCNK3KCNK9PDE2AKCNH2SLC6A4
SCHEMBL12356955 0.80 KCNK3 (0.39) KCNK3KCNK9PDE2AHTR2ATRPV1
SCHEMBL25600783 0.80 KCNK3 (0.42) KCNK3KCNK9PDE2AEPHX2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 US disclosed
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
WO-2020192562-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-10-01 WO disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 US disclosed
US-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 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 (8 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-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, RIPK3 KCNK3 484/4885KCNK9 343/4885PDE2A 3042/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS KCNK3 2284/4885KCNK9 2392/4885PDE2A 2468/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 KCNK3 1129/4885KCNK9 1003/4885PDE2A 3748/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS KCNK3 2284/4885KCNK9 2392/4885PDE2A 2468/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS KCNK3 2284/4885KCNK9 2392/4885PDE2A 2468/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 KCNK3 398/4885KCNK9 359/4885PDE2A 1905/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R KCNK3 3104/4885KCNK9 2964/4885PDE2A 694/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS KCNK3 4269/4885KCNK9 3760/4885PDE2A 3961/4885

“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.