SCHEMBL1123963

SCHEMBL1123963

CN(C)c1nc(N2CCN(c3ccccc3)CC2)nc(N2CCOCC2)c1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 6/20 0.49
TSHR P16473 4/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
MTOR P42345 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1123820 0.87 ALDH1A1 (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123997 0.87 ALDH1A1 (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123804 0.85 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123891 0.84 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123806 0.84 MAPT (0.63) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123951 0.82 TSHR (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1124118 0.80 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123829 0.80 LMNA (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123887 0.79 ALDH1A1 (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1124093 0.79 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US claimed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP claimed
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP disclosed
WO-2009123221-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF 全薬工業株式会社 (JP) 2009-10-08 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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 MAPT 350/4885CYP1A2 3580/4885CYP3A4 3401/4885
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES PNLIP, PDXK, DGKK MAPT 4529/4885CYP1A2 2077/4885CYP3A4 1543/4885

“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.