SCHEMBL24588201

SCHEMBL24588201

Cc1cnc(Cl)nc1-c1c[nH]c2c(Br)cccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.53
CDK5 Q00535 4/20 0.53
CDK5R1 Q15078 4/20 0.53
DYRK1A Q13627 2/20 0.47
GSK3B P49841 1/20 0.47
AR P10275 5/20 0.46
RPS6KA5 O75582 2/20 0.45
MAP3K14 Q99558 1/20 0.42
CCNT1 O60563 2/20 0.39
CCNK O75909 2/20 0.39
CDK9 P50750 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
JAK1 P23458 2/20 0.39
JAK2 O60674 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
SCHEMBL29699079 1.00 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL24588145 0.85 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29699138 0.85 CLK1 (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL30439297 0.85 CLK1 (0.73) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL25370217 0.85 CLK1 (0.55) CLK1CDK5CDK5R1DYRK1AAR
SCHEMBL25600778 0.85 CLK1 (0.73) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL24588844 0.81 DYRK1A (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29699124 0.81 DYRK1A (0.53) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29492558 0.81 CCNT1 (0.57) CLK1CDK5CDK5R1DYRK1AGSK3B
SCHEMBL29431253 0.80 CLK1 (0.57) CLK1CDK5CDK5R1DYRK1AGSK3B

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-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
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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP 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
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 (1 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-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CDK7, CDK17, CDK8 CLK1 1054/4885CDK5 23/4885CDK5R1 49/4885

“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.