SCHEMBL5368370

SCHEMBL5368370

CN(C)CCOc1ccc(Cl)cc1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 3/20 0.50
NR4A2 P43354 2/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ROCK2 O75116 1/20 0.45
LMNA P02545 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL3927071 0.92 ALDH1A1 (0.49) KDM4EGAAMAPK1MAPTALDH1A1
SCHEMBL11756564 0.83 KDM4E (0.64) KDM4EGAAMAPK1MAPTALDH1A1
SCHEMBL5449802 0.81 CYP1A2 (0.55) KDM4EGAAMAPTALDH1A1MEN1
SCHEMBL18773703 0.81 KDM4E (0.64) KDM4EGAAMAPK1MAPTNR4A2
SCHEMBL363534 0.81 MAPT (0.66) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL8391101 0.80 KDM4E (0.55) KDM4EGAAMAPK1MAPTNR4A2
SCHEMBL15545676 0.80 HTR7 (0.51) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3787403 0.79 MAPT (0.58) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL360551 0.79 HTR2C (0.52) KDM4EGAAMAPK1MAPTALDH1A1
SCHEMBL29684402 0.79 HTR2C (0.52) KDM4EGAAMAPK1MAPTALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948453-B1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2948453-B1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
EP-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 EP disclosed
EP-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 EP disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
EP-2785717-A1 PYRAZOLOPYRROLIDINE COMPOUNDS Novartis AG (CH) 2014-10-08 EP disclosed
WO-2014115080-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2014-07-31 WO disclosed
WO-2014115080-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2014-07-31 WO disclosed
WO-2013080141-A1 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2013-06-06 WO disclosed
WO-2013080141-A1 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2013-06-06 WO disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-20040014765-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-01-22 US disclosed
WO-2003101444-A1 DIARYLUREA COMPOUNDS AND DERIVATIVES AS CHK-1 INHIBITORS FOR THE TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-11 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 (3 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-20140350010-A1 Pyrazolopyrrolidine Compounds MDM4, MDM2, TP53 KDM4E 2322/4885GAA 379/4885MAPK1 971/4885
US-20040014765-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885GAA 2750/4885MAPK1 245/4885
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION TP53, MDM4, MDM2 KDM4E 2728/4885GAA 1716/4885MAPK1 1050/4885

“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.