SCHEMBL665848

SCHEMBL665848

COC(=O)c1cc(I)cc2c(=O)nc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
MAP2K1 Q02750 1/20 0.37
NR4A2 P43354 9/20 0.36
AXL P30530 3/20 0.35
PARP1 P09874 1/20 0.34
HPGD P15428 1/20 0.34
CREBBP Q92793 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL667272 0.78 BCL2 (0.47) MAPTMAP2K1AXLPARP1HPGD
SCHEMBL665999 0.77 KDM4E (0.49) MAPTMAP2K1NR4A2AXLHPGD
SCHEMBL1212121 0.76 PIM3 (0.43) MAPTNR4A2CREBBP
SCHEMBL27830381 0.75 PARP1 (0.34) MAPTPARP1HPGD
SCHEMBL31363646 0.72 PARP1 (0.39) MAP2K1NR4A2AXLPARP1CREBBP
SCHEMBL31363101 0.70 NR4A2 (0.41) MAPTMAP2K1NR4A2AXLHPGD
SCHEMBL25395312 0.70 NR4A2 (0.41) MAP2K1NR4A2CREBBPMKNK1TTBK1
SCHEMBL30591117 0.70 NR4A2 (0.41) MAP2K1NR4A2CREBBPMKNK1TTBK1
SCHEMBL29696538 0.69 PIM3 (0.44) NR4A2
SCHEMBL17802189 0.69 PIM3 (0.44) NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 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 (2 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC MAPT 4799/4885MAP2K1 4000/4885NR4A2 388/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC MAPT 4799/4885MAP2K1 4000/4885NR4A2 388/4885

“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.