SCHEMBL17071835

SCHEMBL17071835

CCc1cc(Cl)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 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
SCHEMBL21137987 0.91 KDM1A (0.39) TSHRGPR84GRIN2DGRIN3BGRIN1
SCHEMBL15132116 0.88 TSHR (0.39) TSHRGPR84GRIN2DGRIN3BGRIN1
SCHEMBL22964357 0.86 GRIN2D (0.45) TSHRGPR84GRIN2DGRIN3BGRIN1
SCHEMBL13349119 0.82 GPR84 (0.35) TSHRGPR84ALDH1A1TDP1KMT2A
SCHEMBL19170753 0.82 CD44 (0.38) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5023529 0.81 GRIN2D (0.45) TSHRGPR84GRIN2DGRIN3BGRIN1
SCHEMBL12963250 0.80 SLC6A4 (0.38) TSHRGPR84GRIN2DGRIN3BGRIN1
SCHEMBL6817121 0.79 DPP4 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19489957 0.79 DPP4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18662269 0.78 GPR84 (0.38) GPR84ALDH1A1TDP1HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400502-A2 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Shionogi & Co., Ltd (JP) 2024-07-17 — — EP disclosed
WO-2023196454-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 — — WO disclosed
EP-4122926-A1 TRIAZINE DERIVATIVE HAVING VIRUS PROPAGATION INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi & Co., Ltd (JP) 2023-01-25 — — EP disclosed
US-10975077-B2 Diazepinone derivatives and their use in the treatment of hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-13 — — US disclosed
US-20200181144-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-11 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
WO-2016106237-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2016-06-30 — — WO disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — 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 (4 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-20200181144-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS HAVCR2, NR1H4, NR1H2 TSHR 3120/4885GPR84 998/4885GRIN2D 1043/4885
US-10975077-B2 Diazepinone derivatives and their use in the treatment of hepatitis B infections HAVCR2, NR1H4, NR1H2 TSHR 3120/4885GPR84 998/4885GRIN2D 1043/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 TSHR 849/4885GPR84 2146/4885GRIN2D 1693/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR TSHR 162/4885GPR84 1261/4885GRIN2D 980/4885

“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.

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