SCHEMBL3749047

SCHEMBL3749047

Cc1ccc(F)c(C(=O)N(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
CSNK2A1 P68400 1/20 0.41
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MTOR P42345 2/20 0.39
PIK3CA P42336 1/20 0.39
KAT6A Q92794 1/20 0.39
ERN1 O75460 1/20 0.39
RAB9A P51151 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2735675 0.89 PDK2 (0.46) ARCSNK2A1ALDH1A1CES2CES1
SCHEMBL8566777 0.82 CES2 (0.61) ARALDH1A1CES2CES1ERN1
SCHEMBL31270828 0.82 CES2 (0.61) ARALDH1A1CES2CES1ERN1
SCHEMBL12093236 0.82 MLYCD (0.39) ARCSNK2A1MAPK14MTORPIK3CA
SCHEMBL254680 0.81 HPGD (0.55) ARALDH1A1RAB9AKMT2AMEN1
SCHEMBL12677875 0.80 HPGD (0.51) MAPK14ALDH1A1KAT6ARAB9AKMT2A
SCHEMBL10389402 0.80 MEN1 (0.50) CSNK2A1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7875781 0.80 PARP1 (0.48) MAPK14MTORRAB9ASMN1; SMN2PDK2
SCHEMBL18160358 0.80 POLB (0.47) CES2CES1KMT2AMEN1PDK2
SCHEMBL18160220 0.80 POLB (0.51) RAB9AKMT2AMEN1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20240398811-A1 PRC2 INHIBITORS FOR USE IN TREATING BLOOD DISORDERS ORIC PHARMACEUTICALS, INC. 2024-12-05 US disclosed
EP-4043466-B1 PRC2 INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-08-21 EP disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-9555039-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) FORMA TM, LLC. (US) 2017-01-31 US disclosed
US-9527848-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-12-27 US disclosed
US-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS GRUENEBERG, Dorre A. 2016-02-04 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 AR 1287/4885CSNK2A1 841/4885MAPK14 4295/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 AR 1287/4885CSNK2A1 841/4885MAPK14 4295/4885
US-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS ROS1, NOX4, NOX1 AR 3011/4885CSNK2A1 187/4885MAPK14 359/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 AR 3330/4885CSNK2A1 3311/4885MAPK14 3537/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 AR 2720/4885CSNK2A1 1871/4885MAPK14 3501/4885
US-20240398811-A1 PRC2 INHIBITORS FOR USE IN TREATING BLOOD DISORDERS EZH2, BMI1, EZH1 AR 3169/4885CSNK2A1 188/4885MAPK14 2534/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB AR 2773/4885CSNK2A1 1688/4885MAPK14 370/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 AR 2931/4885CSNK2A1 3712/4885MAPK14 3700/4885

“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.