SCHEMBL1983579

SCHEMBL1983579

CC(C)(C)c1cnc(C(=O)NN)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDK2 P24941 11/20 0.37
CCNE2 O96020 10/20 0.37
CCNE1 P24864 10/20 0.37
CDK4 P11802 5/20 0.37
CCND1 P24385 5/20 0.37
CCNB2 O95067 5/20 0.37
CDK1 P06493 5/20 0.37
CCNB1 P14635 5/20 0.37
CCNB3 Q8WWL7 5/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
P2RX7 Q99572 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL5346225 0.79 L3MBTL1 (0.46) KDM4EGAANPC1RAB9ACDK2
SCHEMBL15498827 0.78 KDM4E (0.46) KDM4EGAACDK2CCNE2CCNE1
SCHEMBL5237928 0.77 MEN1 (0.44) KDM4ENPC1RAB9ACDK2CCNE2
SCHEMBL7142710 0.75 FAAH (0.37) CDK2CCNE2CCNE1CDK4CCND1
Potassium Ion SCHEMBL25246615 0.74 MEN1 (0.34) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL1980103 0.72 MAPK1 (0.49) KDM4EGAANPC1TP53MAPT
SCHEMBL5339140 0.72 L3MBTL1 (0.34) CDK2MAPTL3MBTL1
SCHEMBL7142705 0.71 L3MBTL1 (0.35) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL7142719 0.69 CDK2 (0.32) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL11915988 0.68 CA12 (0.48) KDM4ERAB9AL3MBTL1

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
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 KDM4E 2778/4885GAA 3160/4885NPC1 2460/4885

“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.