SCHEMBL21818820

SCHEMBL21818820

CCC(C)(C)n1cc(-c2ccnc(N)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.43
▸ DYRK1A Q13627 4/20 0.40
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ KHK P50053 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ LATS1 O95835 2/20 0.34
▸ LATS2 Q9NRM7 2/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34

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
SCHEMBL30627853 1.00 KIT (0.43) KITDYRK1ANOS3NOS1NOS2
Hydrochloric Acid SCHEMBL21819160 0.99 KIT (0.42) KITDYRK1ANOS3NOS1NOS2
SCHEMBL30627897 0.89 JAK2 (0.42) KITDYRK1ANOS3NOS1NOS2
SCHEMBL21819143 0.89 JAK2 (0.42) KITDYRK1ANOS3NOS1NOS2
SCHEMBL21819589 0.87 DYRK1A (0.41) KITDYRK1ANOS3NOS1NOS2
SCHEMBL30627892 0.87 DYRK1A (0.41) KITDYRK1ANOS3NOS1NOS2
SCHEMBL30146520 0.85 DYRK1A (0.44) KITDYRK1ANOS3NOS1NOS2
SCHEMBL21818873 0.85 DYRK1A (0.44) KITDYRK1ANOS3NOS1NOS2
SCHEMBL21819141 0.81 DYRK1A (0.40) KITDYRK1ANOS3NOS1NOS2
SCHEMBL30627882 0.81 DYRK1A (0.40) KITDYRK1ANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289821-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2025-09-18 — — US disclosed
EP-3852748-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF LILLY CO ELI (US) 2025-09-03 — — EP disclosed
EP-4596543-A2 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Organovo, Inc. (US) 2025-08-06 — — EP disclosed
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2023-11-30 — — US disclosed
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2023-11-30 — — US disclosed
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2023-11-30 — — US disclosed
US-11773094-B2 Farnesoid X receptor agonists and uses thereof ORGANOVO, INC. (US) 2023-10-03 — — US disclosed
US-11773094-B2 Farnesoid X receptor agonists and uses thereof ORGANOVO, INC. (US) 2023-10-03 — — US disclosed
US-11773094-B2 Farnesoid X receptor agonists and uses thereof ORGANOVO, INC. (US) 2023-10-03 — — US disclosed
US-20210395253-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-12-23 — — US disclosed
US-20210395253-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-12-23 — — US disclosed
US-11084817-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-08-10 — — US disclosed
US-11084817-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-08-10 — — US disclosed
CN-113056271-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 — — CN disclosed
US-20200102308-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-02 — — US disclosed
US-20200102308-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-02 — — 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-11773094-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 KIT 4522/4885DYRK1A 3716/4885NOS3 4473/4885
US-20210395253-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KIT 4522/4885DYRK1A 3716/4885NOS3 4473/4885
US-20200102308-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KIT 4522/4885DYRK1A 3716/4885NOS3 4473/4885
US-20250289821-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KIT 4522/4885DYRK1A 3716/4885NOS3 4473/4885
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KIT 4522/4885DYRK1A 3716/4885NOS3 4473/4885
US-11084817-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 KIT 4522/4885DYRK1A 3716/4885NOS3 4473/4885

“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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