SCHEMBL1124011

SCHEMBL1124011

CN1CCN(c2nc(N3CCN(Cc4ccncc4)CC3)nc(N3CCOCC3)c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.49
CASP1 P29466 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
PIK3R1 P27986 3/20 0.47
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HTR6 P50406 1/20 0.44
HTR2C P28335 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
ALOX5 P09917 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FLT3 P36888 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 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
SCHEMBL12563111 0.90 CASP1 (0.58) PIK3CACASP1CASP4CASP5PIK3R1
SCHEMBL1123872 0.84 ALDH1A1 (0.47) CASP1CASP4CASP5KDM4EPOLB
SCHEMBL1123931 0.83 CASP1 (0.52) CASP1CASP5KDM4E
SCHEMBL1124173 0.83 CASP1 (0.52) CASP1CASP5KDM4E
SCHEMBL27825763 0.79 CASP1 (0.39) PIK3CACASP1CASP4CASP5HTR6
SCHEMBL1123806 0.77 MAPT (0.63) PIK3CAPIK3R1HTR2CNPSR1HRH4
SCHEMBL27804973 0.77 CSNK1D (0.47) PIK3CAPIK3R1HTR6HTR2CNPSR1
SCHEMBL28790368 0.77 CSNK1D (0.47) PIK3CAPIK3R1HTR6HTR2CNPSR1
SCHEMBL28790396 0.77 CSNK1D (0.47) PIK3CAPIK3R1HTR6HTR2CNPSR1
SCHEMBL1124043 0.76 HRH4 (0.50) PIK3CAPIK3R1HTR2CNPSR1HRH4

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 12 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
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP 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-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

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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 PIK3CA 2922/4885CASP1 3/4885CASP4 27/4885

“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.