SCHEMBL201716

SCHEMBL201716

O=C(Nc1ccccc1)n1[c]cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 2/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
P2RX4 Q99571 1/20 0.41
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9587424 0.80 BCHE (0.37) POLBSMN1; SMN2MAPK1BCHENPC1
SCHEMBL1642678 0.79 DAO (0.39) SMN1; SMN2TSHRNPC1RAB9AHSD17B10
SCHEMBL20138330 0.75 RAB9A (0.50) SMN1; SMN2TSHRP2RX4MAPTNPC1
SCHEMBL5788693 0.74 NOTUM (0.47) POLBMAPK1TP53TSHRMAPT
SCHEMBL4919212 0.73 L3MBTL1 (0.41) POLBSMN1; SMN2MAPK1TSHRCYP2C19
SCHEMBL28702886 0.70 TSHR (0.57) SMN1; SMN2MAPK1TP53EPHX1TSHR
SCHEMBL1573833 0.68 ASAH1 (0.56) SMN1; SMN2MAPK1TP53MAPTNPC1
SCHEMBL17022591 0.68 PDGFRB (0.50) POLBSMN1; SMN2MAPK1TP53EPHX1
SCHEMBL289936 0.67 NR1H2 (0.42) BCHE
SCHEMBL1643083 0.65 HPGD (0.44) POLBTSHREPHX2BCHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
EP-2185541-B1 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2015-01-28 EP disclosed
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
EP-2001868-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2013-07-17 EP disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-8232298-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
EP-2185541-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 Janssen Pharmaceutica, N.V. (BE) 2010-05-19 EP disclosed
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2009-06-11 US disclosed
WO-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 WO disclosed
EP-2001868-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 Janssen Pharmaceutica, N.V. (BE) 2008-12-17 EP disclosed
EP-1999126-A1 CYCLIC-ALKYLAMINEDERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 Janssen Pharmaceutica, N.V. (BE) 2008-12-10 EP disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
WO-2007107545-A1 CYCLIC-ALKYLAMINEDERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO disclosed
WO-2007107543-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO disclosed
EP-1809622-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 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-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 POLB 573/4885SMN1; SMN2 4593/4885MAPK1 1558/4885
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 POLB 1084/4885SMN1; SMN2 3540/4885MAPK1 1743/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 POLB 1555/4885SMN1; SMN2 3698/4885MAPK1 2066/4885

“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.