SCHEMBL8257902

SCHEMBL8257902

Cc1cc(C(C)(C)O)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ESR1 P03372 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR3C1 P04150 1/20 0.38
PDE2A O00408 2/20 0.37
ACHE P22303 1/20 0.37
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL15146360 0.84 HDAC1 (0.40) CASRHDAC1HDAC6ESR1MEN1
SCHEMBL6967423 0.84 KCNN4 (0.43) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL7836049 0.81 TSHR (0.46) CASRHDAC3HDAC1HDAC2HDAC6
SCHEMBL3949636 0.81 ESR1 (0.54) CASRHDAC3HDAC1HDAC2HDAC6
SCHEMBL24746116 0.81 HSD11B1 (0.46) CASRHDAC3HDAC1HDAC2HDAC6
SCHEMBL15729280 0.80 CA3 (0.48) ESR1MEN1KMT2ATNKSPARP1
SCHEMBL14900002 0.79 HDAC3 (0.42) CASRHDAC3HDAC1HDAC2HDAC6
SCHEMBL12264367 0.78 MEN1 (0.45) MEN1KMT2ANR3C1PDE2ACYP11B1
SCHEMBL8251209 0.78 ALOX15 (0.39) MEN1KMT2APDE2ATNKSPARP1
SCHEMBL17030750 0.78 MEN1 (0.35) RXRAGRIN1GRIN2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227270-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2024-11-13 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
CN-107231802-B Heterocyclic derivatives and use thereof 株式会社C&C新药研究所 2021-02-12 CN disclosed
US-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-12-08 US disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
EP-3407877-B1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RES & DEV (FR) 2020-03-04 EP disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-20190192478-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-06-27 US disclosed
US-10023591-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2018-07-17 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (6 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-10023591-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A CASR 3335/4885HDAC3 70/4885HDAC1 144/4885
US-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders NLRP3, NLRP1, PYCARD CASR 3482/4885HDAC3 2026/4885HDAC1 1371/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CASR 676/4885HDAC3 882/4885HDAC1 2694/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CASR 1904/4885HDAC3 3157/4885HDAC1 1801/4885
US-20190192478-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS NLRP3, NLRP1, PYCARD CASR 3482/4885HDAC3 2026/4885HDAC1 1371/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CASR 1904/4885HDAC3 3157/4885HDAC1 1801/4885

“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.