SCHEMBL8206262

SCHEMBL8206262

CC(C)NC(=O)c1cccc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
PKM P14618 1/20 0.64
ACKR3 P25106 1/20 0.47
TGFBR1 P36897 4/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR119 Q8TDV5 2/20 0.46
TP53 P04637 1/20 0.46
RORC P51449 1/20 0.45
KDM1A O60341 1/20 0.45
YAP1 P46937 1/20 0.45
GNRHR P30968 1/20 0.45
IL1B P01584 1/20 0.44
P2RX7 Q99572 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
SCHEMBL8198448 0.94 KDM4E (0.56) KDM4EPKMACKR3MEN1KMT2A
SCHEMBL6984094 0.82 KDM4E (0.71) KDM4EPKMTGFBR1GPR119TP53
SCHEMBL26131403 0.78 KDM4E (1.00) KDM4EPKMACKR3TGFBR1KMT2A
SCHEMBL24150864 0.78 KDM4E (0.53) KDM4EPKMACKR3CCNA2CDK2
SCHEMBL30379989 0.78 KDM4E (0.53) KDM4EPKMACKR3CCNA2CDK2
SCHEMBL29774793 0.77 ACKR3 (0.61) KDM4EPKMACKR3KMT2AKDM1A
SCHEMBL6401219 0.77 KDM4E (0.56) KDM4EPKMTGFBR1KMT2AGPR119
SCHEMBL8208874 0.77 PDGFRB (0.43)
SCHEMBL14331908 0.77 KDM4E (0.62) KDM4EPKMTGFBR1MEN1KMT2A
SCHEMBL22777603 0.77 KDM4E (0.57) KDM4EPKMMEN1KMT2ATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 KDM4E 3354/4885PKM 1656/4885ACKR3 1177/4885

“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.