SCHEMBL21178205

SCHEMBL21178205

CSc1ncc(C(F)(F)F)c(-c2cn(S(=O)(=O)c3ccccc3)c3nc(C#N)ccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.42
CCNH P51946 3/20 0.42
MNAT1 P51948 3/20 0.42
RXFP1 Q9HBX9 1/20 0.37
HTR6 P50406 8/20 0.33
HTR2A P28223 5/20 0.33
HTR7 P34969 4/20 0.33
DRD2 P14416 3/20 0.33
EGFR P00533 2/20 0.33
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
CTSS P25774 2/20 0.31
CYP2C19 P33261 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31

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
SCHEMBL29699020 1.00 CDK7 (0.42) CDK7CCNHMNAT1RXFP1HTR6
SCHEMBL21178230 0.87 CDK7 (0.42) CDK7CCNHMNAT1HTR6HTR2A
SCHEMBL24584109 0.82 CDK7 (0.46) CDK7CCNHMNAT1RXFP1CCNT1
SCHEMBL25593890 0.82 HTR6 (0.50) HTR6HTR2AHTR7DRD2EGFR
SCHEMBL21178218 0.81 RXFP1 (0.36) RXFP1HTR6HTR2AHTR7DRD2
SCHEMBL21178911 0.81 RXFP1 (0.35) RXFP1HTR6HTR2AHTR7DRD2
SCHEMBL24583126 0.81 PIK3CA (0.41) RXFP1HTR6DRD2EGFR
SCHEMBL21178209 0.80 RXFP1 (0.34) RXFP1HTR6HTR2AHTR7DRD2
SCHEMBL30549107 0.80 RXFP1 (0.37) CDK7CCNHMNAT1RXFP1CTSS
SCHEMBL21178193 0.80 BRD4 (0.44) CDK7CCNHRXFP1HTR6HTR2A

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 17 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
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK CDK7 1/4885CCNH 24/4885MNAT1 114/4885
US-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK17, CDK8 CDK7 1/4885CCNH 51/4885MNAT1 212/4885
US-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CDK7, CDK17, CDK8 CDK7 1/4885CCNH 50/4885MNAT1 175/4885
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof CDK7, CDK17, CDK1 CDK7 1/4885CCNH 63/4885MNAT1 289/4885
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK8, CDK6 CDK7 1/4885CCNH 31/4885MNAT1 152/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CDK7 1/4885CCNH 24/4885MNAT1 114/4885

“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.