SCHEMBL20588183

SCHEMBL20588183

N#CCC(c1ccc(N)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ MAOB P27338 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ BRCA1 P38398 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL30338404 0.72 MAPT (0.39) KIF11ALDH1A1TDP1MEN1KMT2A
SCHEMBL20588191 0.72 KIF11 (0.43) KIF11MAOBALDH1A1KDM4ETDP1
SCHEMBL2815949 0.72 MAPT (0.47) KIF11ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL20589001 0.69 KIF11 (0.45) KIF11MAOBALDH1A1KDM4ETDP1
SCHEMBL994398 0.68 MAPT (0.43) KIF11MAOBALDH1A1TDP1MEN1
SCHEMBL10689490 0.68 KIF11 (0.39) KIF11MAOBALDH1A1KDM4ETDP1
SCHEMBL445852 0.65 KIF11 (0.54) KIF11MAOBALDH1A1KDM4ETDP1
SCHEMBL297801 0.65 KIF11 (0.54) KIF11MAOBALDH1A1KDM4ETDP1
SCHEMBL2200527 0.65 KIF11 (0.54) KIF11MAOBALDH1A1KDM4ETDP1
SCHEMBL203678 0.65 ESR1 (0.56) KIF11MAOBALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2021-12-09 — — US disclosed
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2021-12-09 — — US disclosed
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators ASTRAZENECA AB (SE) 2021-06-15 — — US disclosed
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators ASTRAZENECA AB (SE) 2021-06-15 — — US disclosed
EP-3638661-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS Astrazeneca AB (SE) 2020-04-22 — — EP disclosed
US-20200115338-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2020-04-16 — — US disclosed
WO-2018229155-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2018-12-20 — — 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 (3 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-20200115338-A1 NOVEL COMPOUNDS RORC, RORB, RORA KIF11 2594/4885MAOB 4633/4885ALDH1A1 471/4885
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators RORA, RORC, RORB KIF11 3040/4885MAOB 4185/4885ALDH1A1 389/4885
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS RORA, RORC, RORB KIF11 3040/4885MAOB 4185/4885ALDH1A1 389/4885

“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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