SCHEMBL27156555

SCHEMBL27156555

NC(=O)N1CCC[C@H]1Cn1ncc2cnc(Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.35
▸ CDK1 P06493 6/20 0.35
▸ AURKB Q96GD4 6/20 0.35
▸ HRH3 Q9Y5N1 7/20 0.34
▸ PDE8B O95263 1/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ MET P08581 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ BTK Q06187 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
SCHEMBL27156358 0.90 AURKA (0.35) AURKACDK1AURKBHRH3PDE8B
SCHEMBL27156349 0.90 AURKA (0.35) AURKACDK1AURKBHRH3PDE8B
SCHEMBL27156794 0.90 AURKA (0.35) AURKACDK1AURKBHRH3PDE8B
SCHEMBL27156880 0.89 AURKA (0.37) AURKACDK1AURKBHRH3PDE8B
SCHEMBL27156527 0.89 AURKA (0.37) AURKACDK1AURKBHRH3PDE8B
SCHEMBL27156730 0.86 AURKA (0.35) AURKACDK1AURKBHRH3PDE8B
SCHEMBL27156738 0.86 AURKA (0.35) AURKACDK1AURKBHRH3PDE8B
SCHEMBL29819812 0.86 AURKA (0.34) AURKACDK1AURKBHRH3
SCHEMBL27156780 0.86 AURKA (0.34) AURKACDK1AURKBHRH3
SCHEMBL29819920 0.85 AURKA (0.36) AURKACDK1AURKBPDE8B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 — — US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 — — US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 — — 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 (2 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK AURKA 522/4885CDK1 118/4885AURKB 145/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK AURKA 522/4885CDK1 118/4885AURKB 145/4885

“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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