SCHEMBL21265229

SCHEMBL21265229

CCOC(=O)/C=C/c1nc(F)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ TTR P02766 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ MLYCD O95822 1/20 0.42
▸ CNKSR1 Q969H4 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL29210349 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL16750522 0.86 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL19233346 0.84 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL29547778 0.84 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL1396694 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL29005494 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1396692 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL29363760 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL25911846 0.83 LMNA (0.56) CA12CA7CA9CA14TTR
SCHEMBL3712158 0.83 MLYCD (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 — — US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 — — EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 — — EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 — — EP disclosed
EP-3749669-B1 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2023-03-08 — — EP disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 — — US disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 — — US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 — — US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 — — US disclosed
US-20210002297-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-01-07 — — US disclosed
US-10815250-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2020-10-27 — — US disclosed
US-20190270754-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2019-09-05 — — US disclosed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 — — 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 (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-11407764-B2 AhR modulators AHR, ARNT, RORB CA12 4726/4885CA1 4660/4885CA2 3929/4885
US-20230039955-A1 AhR MODULATORS AHR, ARNT, RORB CA12 4719/4885CA1 4656/4885CA2 3925/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB CA12 4726/4885CA1 4660/4885CA2 3929/4885
US-10815250-B2 AhR modulators AHR, ARNT, RORB CA12 4726/4885CA1 4660/4885CA2 3929/4885
US-20210002297-A1 AhR MODULATORS AHR, ARNT, RORB CA12 4726/4885CA1 4660/4885CA2 3929/4885
US-20190270754-A1 AhR MODULATORS AHR, ARNT, RORB CA12 4726/4885CA1 4660/4885CA2 3929/4885

“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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