SCHEMBL167070

SCHEMBL167070

Cn1c(C(=O)NCc2ccc3c(c2)CCNC3)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 5/20 0.48
LMNA P02545 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
ROCK2 O75116 5/20 0.46
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL566626 0.82 ROCK2 (0.59) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL117608 0.80 ROCK2 (0.48) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL566607 0.80 BRD4 (0.45) KMT2ATP53LMNAROCK2POLB
SCHEMBL4112508 0.77 MEN1 (0.76) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL118485 0.77 ROCK2 (0.46) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL116750 0.77 ROCK2 (0.46) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL118962 0.76 ROCK2 (0.45) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL168400 0.76 ESR2 (0.50) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL566537 0.75 ROCK2 (0.44) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL31420663 0.73 PLAU (0.46) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP claimed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US claimed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO claimed
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 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-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE HTR1F, HTR3C, HTR6 MEN1 2469/4885KMT2A 1572/4885L3MBTL1 2101/4885

“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.