SCHEMBL25679715

SCHEMBL25679715

CC(=O)OCCn1c(C2CCCCC2)nc2cc(N)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.55
▸ JAK1 P23458 9/20 0.55
▸ TYK2 P29597 9/20 0.55
▸ JAK3 P52333 9/20 0.55
▸ HRH1 P35367 3/20 0.54
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ CNR2 P34972 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL25679745 0.81 HRH1 (0.48) JAK2JAK1TYK2JAK3HRH1
SCHEMBL25679737 0.79 KDM4E (0.57) HRH1USP2KDM4EALDH1A1MAPT
SCHEMBL25218469 0.75 HRH1 (0.45) JAK2JAK1TYK2JAK3HRH1
SCHEMBL30533988 0.75 HRH1 (0.45) JAK2JAK1TYK2JAK3HRH1
SCHEMBL30533963 0.75 CCNK (0.39) JAK2JAK1TYK2JAK3HRH1
SCHEMBL25221756 0.75 CCNK (0.39) JAK2JAK1TYK2JAK3HRH1
SCHEMBL25678221 0.75 ALDH1A1 (0.53) JAK2JAK1TYK2JAK3USP2
SCHEMBL24166159 0.71 KMT2A (0.52) HRH1POLBKDM4EALDH1A1
SCHEMBL30656807 0.71 KMT2A (0.52) HRH1POLBKDM4EALDH1A1
SCHEMBL17888855 0.70 HRH1 (1.00) HRH1CYP2D6KCNH2

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 JAK2 424/4885JAK1 856/4885TYK2 413/4885

“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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