SCHEMBL25679745

SCHEMBL25679745

C=CC(=O)Nc1ccc2c(c1)nc(C1CCCCC1)n2CCOC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ JAK2 O60674 4/20 0.46
▸ JAK1 P23458 4/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ JAK3 P52333 4/20 0.46
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ SHMT2 P34897 1/20 0.39

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
SCHEMBL25680363 0.82 NPC1 (0.48) HDAC1HDAC8JAK2JAK1TYK2
SCHEMBL25679715 0.81 JAK2 (0.55) HRH1HDAC1HDAC8JAK2JAK1
SCHEMBL25223841 0.78 CCNK (0.51) JAK3EGFRBTK
SCHEMBL30533943 0.78 CCNK (0.51) JAK3EGFRBTK
SCHEMBL25598176 0.70 SMN1; SMN2 (0.54) POLBNPC1KDM4EMAPTSMN1; SMN2
SCHEMBL25679696 0.68 GLA (0.42) NPC1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL30533876 0.68 CDK12 (0.53) JAK3EGFR
SCHEMBL25218469 0.68 HRH1 (0.45) HRH1JAK2JAK1TYK2JAK3
SCHEMBL26630437 0.67 RORC (0.54) EGFR
SCHEMBL25680537 0.67 ALDH1A1 (0.69) NPC1KDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — 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 (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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 HRH1 3078/4885HDAC1 321/4885HDAC8 372/4885

“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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