SCHEMBL10145970

SCHEMBL10145970

CN(C)C1CCN(c2ncccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 3/20 0.46
PTPN11 Q06124 1/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
MAPT P10636 3/20 0.44
DYRK1A Q13627 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 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
SCHEMBL16003398 0.81 KCNH2 (0.47) PTPN11CYP3A4GPR119DYRK1A
SCHEMBL933344 0.81 L3MBTL3 (0.41) KDM4ECYP2C19PTPN11GPR119DYRK1A
SCHEMBL26149350 0.81 KDM4E (0.49) KDM4ECYP2C19ALDH1A1CYP3A4LMNA
SCHEMBL31217395 0.80 PTPN11 (0.45) KDM4EPTPN11GPR119DYRK1A
SCHEMBL13806018 0.80 KDM4E (0.51) KDM4EALDH1A1PTPN11LMNAMAPT
SCHEMBL26151349 0.80 KDM4E (0.55) KDM4ECYP2C19ALDH1A1LMNAGPR119
SCHEMBL22837819 0.79 PLD1 (0.53) KDM4EALDH1A1GPR119MAPTPOLB
SCHEMBL452681 0.78 KDM4E (0.56) KDM4ECYP2C19ALDH1A1LMNAGPR119
SCHEMBL15341840 0.76 DYRK1A (0.43) PTPN11DYRK1A
Ammonia Solution, Strong SCHEMBL8131352 0.76 KDM4E (0.55) KDM4ECYP2C19ALDH1A1LMNAGPR119

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 7 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-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
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 KDM4E 2001/4885CYP2C19 1513/4885ALDH1A1 3897/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KDM4E 2694/4885CYP2C19 1242/4885ALDH1A1 4050/4885

“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.