SCHEMBL526710

SCHEMBL526710

COC(=O)c1cccc2c(Cl)nc(C(F)(F)F)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
PDK2 Q15119 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
NR4A2 P43354 1/20 0.40
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
PSMD14 O00487 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL528027 0.81 KDM4E (0.50) KDM4EPIM1PIM2KMT2AGAA
SCHEMBL526632 0.77 KDM4E (0.44) KDM4EPIM1PIM2KMT2AGAA
SCHEMBL527171 0.77 KDM4E (0.47) KDM4EPIM1PIM2KMT2AGAA
SCHEMBL12768367 0.75 MAPK8 (0.46) KDM4EPIM1PIM2KMT2AGAA
SCHEMBL2624169 0.74 KMT2A (0.52) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL527746 0.73 PSMD14 (0.46) KDM4EPIM1PIM2KMT2AGAA
SCHEMBL2688734 0.73 PIM1 (0.66) KDM4EPIM1PIM2GAAPKN1
SCHEMBL10136673 0.73 PIM1 (0.63) KDM4EPIM1PIM2GAAPKN1
SCHEMBL1527651 0.73 PIM1 (0.50) KDM4EPIM1PIM2KMT2AGAA
SCHEMBL26406683 0.73 CFTR (0.47) KDM4EPIM1PIM2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
US-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 KDM4E 426/4885PIM1 1671/4885PIM2 1337/4885

“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.