SCHEMBL1123937

SCHEMBL1123937

Cc1ccc(N2CCN(c3nc(N4CCN(CCNC(=O)OC(C)(C)C)CC4)nc(N4CCOCC4)c3F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
BRD4 O60885 1/20 0.45
HTR1A P08908 2/20 0.43
CD274 Q9NZQ7 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
DRD4 P21917 2/20 0.42
POLB P06746 1/20 0.42
SUV39H2 Q9H5I1 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
SCHEMBL27825632 0.91 DRD2 (0.44) DRD2BRD4CD274DRD4SUV39H2
SCHEMBL1123753 0.82 GPR119 (0.53) PIK3CAMTOR
SCHEMBL1123728 0.82 GPR119 (0.53) PIK3CAMTOR
SCHEMBL1123714 0.81 MEN1 (0.47) PIK3CAMTOR
SCHEMBL1123846 0.78 KDM4E (0.42) PIK3CAMTOR
SCHEMBL1123709 0.78 LMNA (0.51) PIK3CAMTOR
SCHEMBL1123934 0.78 LMNA (0.51) PIK3CAMTOR
SCHEMBL1123869 0.77 PIK3CA (0.52) PIK3CAMTOR
SCHEMBL27825635 0.76 DRD2 (0.38) DRD2CD274DRD4SUV39H2
SCHEMBL1123815 0.76 HRH4 (0.50) PIK3CA

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 11 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
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
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
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 DRD2 3516/4885BRD4 4331/4885HTR1A 2861/4885

“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.