SCHEMBL15054551

SCHEMBL15054551

CCN(c1ccccc1)c1ccc(C(N)=O)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 15/20 0.52
▸ KDM4E B2RXH2 3/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ AURKA O14965 3/20 0.40
▸ KDM6B O15054 1/20 0.38
▸ KDM6A O15550 1/20 0.38
▸ TET3 O43151 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM4B O94953 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ TET2 Q6N021 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ TET1 Q8NFU7 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL15054924 0.91 RPS6KB1 (0.50) RPS6KB1KDM4EAKT1ALDH1A1PARP1
SCHEMBL28137407 0.75 RPS6KB1 (0.58) RPS6KB1KDM4EAKT1PARP1AURKA
SCHEMBL7259310 0.74 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29448814 0.71 KDM4E (0.59) RPS6KB1KDM4EPARP1KDM6BKDM6A
SCHEMBL27767795 0.71 KDM4E (0.64) RPS6KB1KDM4EPARP1AURKAKDM6B
SCHEMBL2713874 0.71 ALDH1A1 (0.40) ALDH1A1PARP1
SCHEMBL10839348 0.70 CDC7 (0.39) RPS6KB1KDM4EALDH1A1PARP1HPGD
SCHEMBL15053947 0.70 KDM4E (0.61) RPS6KB1KDM4EALDH1A1PARP1KDM6B
SCHEMBL10836335 0.69 CYP2D6 (0.43) RPS6KB1KDM4EALDH1A1PARP1AURKA
SCHEMBL20515237 0.68 KDM4E (0.59) RPS6KB1KDM4EALDH1A1PARP1AURKA

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-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 — — US claimed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 — — US claimed
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 — — US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 — — US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 — — EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 — — US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 — — US disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 — — EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 — — US disclosed
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 — — 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 (4 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 RPS6KB1 237/4885KDM4E 315/4885AKT1 236/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 RPS6KB1 210/4885KDM4E 380/4885AKT1 214/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 RPS6KB1 197/4885KDM4E 394/4885AKT1 165/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 RPS6KB1 210/4885KDM4E 380/4885AKT1 214/4885

“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.

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