SCHEMBL24584411

SCHEMBL24584411

C[C@H]1COCCN1c1ccc2c(-c3nc(S(C)(=O)=O)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 10/20 0.41
▸ ATRIP Q8WXE1 9/20 0.41
▸ PIK3CA P42336 9/20 0.40
▸ PIK3R1 P27986 5/20 0.40
▸ MTOR P42345 5/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ PIK3C3 Q8NEB9 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
SCHEMBL29749461 1.00 ATR (0.41) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL26627068 1.00 ATR (0.41) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL26627040 0.89 ATR (0.42) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL24584332 0.89 ATR (0.42) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL24588114 0.88 PIK3CA (0.41) PIK3CAPIK3R1
SCHEMBL24584483 0.81 CDK7 (0.49) ATRATRIP
SCHEMBL24584481 0.81 CDK7 (0.49) ATRATRIP
SCHEMBL26627069 0.80 PRKCA (0.37) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL24584176 0.80 CDK7 (0.39) PIK3CAPIK3R1
SCHEMBL24588853 0.80 CDK7 (0.39) PIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-04-30 — — US disclosed
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof RECURSION PHARMACEUTICALS, INC. (US) 2026-02-03 — — US disclosed
US-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-25 — — US disclosed
US-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-18 — — US disclosed
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
CN-116745277-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-09-12 — — CN disclosed
CN-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-08-29 — — CN disclosed
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — WO disclosed
WO-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — 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 (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-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK17, CDK8 ATR 326/4885ATRIP 709/4885PIK3CA 794/4885
US-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CDK7, CDK17, CDK8 ATR 255/4885ATRIP 1006/4885PIK3CA 419/4885
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof CDK7, CDK17, CDK1 ATR 350/4885ATRIP 582/4885PIK3CA 868/4885
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK8, CDK6 ATR 645/4885ATRIP 1428/4885PIK3CA 843/4885

“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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