SCHEMBL1123740

SCHEMBL1123740

Cc1ccc(N2CCN(c3nc(N4CCNCC4)nc(N4CCOCC4)c3F)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.54
HTR2C P28335 1/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CETP P11597 3/20 0.43
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL1123704 1.00 ADRB1 (0.54) ADRB1HTR2CLMNACYP1A2CYP3A4
SCHEMBL1123934 0.92 LMNA (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123709 0.92 LMNA (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1124043 0.88 HRH4 (0.50) HTR2CLMNACYP1A2CYP3A4CYP2C9
SCHEMBL12563010 0.88 ALDH1A1 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123815 0.88 HRH4 (0.50) HTR2CLMNACYP1A2CYP3A4CYP2C9
SCHEMBL1123915 0.88 HRH4 (0.50) HTR2CLMNACYP1A2CYP3A4CYP2C9
SCHEMBL27804967 0.85 CETP (0.47) HTR2CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27804966 0.85 CETP (0.47) HTR2CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1123860 0.82 MEN1 (0.55) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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-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
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 ADRB1 2244/4885HTR2C 4352/4885LMNA 1872/4885

“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.