SCHEMBL9607569

SCHEMBL9607569

CC(C)c1c(N)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
TSHR P16473 3/20 0.39
PIK3CA P42336 1/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CD44 P16070 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HDAC1 Q13547 1/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
ACHE P22303 1/20 0.32
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL807556 0.83 CES2 (0.41) CYP3A4TSHRCES2CES1TDP1
SCHEMBL841515 0.83 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL28542075 0.83 CES2 (0.41) CYP3A4TSHRPIK3CACES2CES1
SCHEMBL31470034 0.78 CYP3A4 (0.36) CYP3A4TSHRPIK3CACES2CES1
SCHEMBL31470029 0.78 CYP3A4 (0.36) CYP3A4TSHRPIK3CACES2CES1
SCHEMBL12197665 0.74 GABRA1 (0.46) CYP3A4TSHRCES2CES1HPGD
SCHEMBL141144 0.74 CYP3A4 (0.46) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL8246278 0.74 ACHE (0.50) CYP3A4TSHRCES2CES1ALDH1A1
SCHEMBL10073173 0.74 CD44 (0.52) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL7765934 0.74 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1TDP1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024091409-A1 TRICYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
WO-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 WO disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
WO-2014011429-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-01-16 WO disclosed
WO-2014011429-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-01-16 WO disclosed
US-20130203593-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-08-08 US disclosed
US-20130203593-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-08-08 US disclosed
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 US disclosed
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 US disclosed
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 US disclosed
WO-2013009791-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 WO disclosed
WO-2013009791-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 WO disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR CYP3A4 45/4885TSHR 2552/4885PIK3CA 977/4885
US-20130203593-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CYP3A4 228/4885TSHR 446/4885PIK3CA 1403/4885
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT CYP3A4 369/4885TSHR 2875/4885PIK3CA 891/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CYP3A4 3201/4885TSHR 3595/4885PIK3CA 105/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CYP3A4 853/4885TSHR 768/4885PIK3CA 2154/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS CYP3A4 1166/4885TSHR 3862/4885PIK3CA 37/4885
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CYP3A4 3201/4885TSHR 3595/4885PIK3CA 105/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP3A4 3711/4885TSHR 4206/4885PIK3CA 100/4885

“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.