SCHEMBL28611830

SCHEMBL28611830

NC(=O)c1cnn2c1CN(C(N)=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 11/20 0.36
▸ CSNK1E P49674 10/20 0.36
▸ CREBBP Q92793 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ MYT1 Q01538 2/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL16699410 0.81 CSNK1E (0.40) CSNK1DCSNK1ECREBBP
SCHEMBL16699389 0.76 CASR (0.31) CSNK1DCSNK1E
SCHEMBL28975942 0.75 CYP11B2 (0.39) RIPK2HTR2A
SCHEMBL30793538 0.74 MEN1 (0.41) —
SCHEMBL25172258 0.73 HTR2A (0.43) RIPK2HTR2A
SCHEMBL14841127 0.72 HTT (0.34) CSNK1DCSNK1ERIPK2HTR1AHTR2A
SCHEMBL16698729 0.72 CD38 (0.31) —
SCHEMBL16700166 0.72 CASR (0.36) CSNK1DCSNK1EPRMT5WDR77
SCHEMBL23778840 0.71 AURKA (0.46) RIPK2HTR2A
SCHEMBL28975929 0.71 KDM4E (0.35) RIPK2

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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 — — US disclosed
CN-113039186-A Urea 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine active agents against hepatitis b virus HBV 艾库里斯有限及两合公司 2021-06-25 — — CN 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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine IKZF2, WEE1, NOTUM CSNK1D 2822/4885CSNK1E 1955/4885CREBBP 384/4885

“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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