SCHEMBL20926962

SCHEMBL20926962

CCCC(C)N1CCN(C(=O)CN(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNB1 Q02641 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 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
SCHEMBL13043878 0.81 HRH3 (0.49) KDM4EHRH3L3MBTL1CACNA2D1CACNA1B
SCHEMBL23514589 0.78 HRH3 (0.37) KDM4EHRH3HTR1APOLBNPSR1
SCHEMBL18713009 0.78 HRH3 (0.37) KDM4EHRH3HTR1APOLBNPSR1
SCHEMBL23449305 0.78 PIK3CD (0.48) KDM4EHRH3PARP1ALDH1A1
SCHEMBL18713080 0.76 NAMPT (0.45) KDM4EHRH3POLBNPSR1L3MBTL1
SCHEMBL27648742 0.75 CACNA2D1 (0.37) KDM4EHRH3NPSR1CACNA2D1CACNA1B
SCHEMBL19630484 0.74 KDM4E (0.38) KDM4EPARP1UBE2MDCUN1D1
SCHEMBL11573468 0.74 — —
SCHEMBL20349478 0.74 RET (0.33) KDM4E
SCHEMBL20353644 0.74 HRH3 (0.39) KDM4EHRH3POLBNPSR1L3MBTL1

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-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 — — 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-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD KDM4E 1057/4885HRH3 3572/4885HTR1A 4164/4885

“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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