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SCHEMBL541768

SCHEMBL541768

COC(=O)c1ccc2c(c1)CCCN2c1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.48
▸ NR1H2 P55055 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ LRRK2 Q5S007 8/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ SRD5A1 P18405 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL541786 0.91 NR1H2 (0.42) PRKDCNR1H2PDK1PDK2PDK3
SCHEMBL12796663 0.88 PRKDC (0.45) PRKDCNR1H2PDK1PDK2PDK3
SCHEMBL10145898 0.87 NR1H2 (0.44) NR1H2PDK1PDK2PDK3PDK4
SCHEMBL12796228 0.83 NR1H2 (0.43) NR1H2CNR2KDM4EALDH1A1LMNA
SCHEMBL13141753 0.83 NR1H2 (0.41) NR1H2CNR2ALDH1A1
SCHEMBL541540 0.83 SMN1; SMN2 (0.48) KDM4EALDH1A1LMNA
SCHEMBL10145902 0.81 JUN (0.48) NR1H2CNR2
SCHEMBL10146157 0.81 NR1H2 (0.42) NR1H2CNR2KDM4EALDH1A1LMNA
SCHEMBL12796505 0.78 TSHR (0.48) NR1H2CNR2KDM4EALDH1A1LMNA
SCHEMBL12796000 0.77 ALDH1A1 (0.54) NR1H2CNR2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 — — WO 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 PRKDC 3524/4885NR1H2 286/4885PDK1 3674/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 PRKDC 3470/4885NR1H2 401/4885PDK1 4133/4885

“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.