SCHEMBL27156785

SCHEMBL27156785

O=C(C(F)F)N1CCCC1Cn1ncc2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.34
▸ CDK1 P06493 5/20 0.34
▸ AURKB Q96GD4 5/20 0.34
▸ HRH3 Q9Y5N1 6/20 0.33
▸ OPRK1 P41145 4/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TMEM97 Q5BJF2 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
SCHEMBL27156780 1.00 AURKA (0.34) AURKACDK1AURKBHRH3OPRK1
SCHEMBL29819812 1.00 AURKA (0.34) AURKACDK1AURKBHRH3OPRK1
SCHEMBL27156794 0.87 AURKA (0.35) AURKACDK1AURKBHRH3
SCHEMBL27156358 0.87 AURKA (0.35) AURKACDK1AURKBHRH3
SCHEMBL27156349 0.87 AURKA (0.35) AURKACDK1AURKBHRH3
SCHEMBL27156555 0.86 AURKA (0.35) AURKACDK1AURKBHRH3
SCHEMBL27156880 0.86 AURKA (0.37) AURKACDK1AURKBHRH3
SCHEMBL27156527 0.86 AURKA (0.37) AURKACDK1AURKBHRH3
SCHEMBL27156738 0.84 AURKA (0.35) AURKACDK1AURKBHRH3OPRK1
SCHEMBL27156730 0.84 AURKA (0.35) AURKACDK1AURKBHRH3OPRK1

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 2 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

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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