SCHEMBL118962

SCHEMBL118962

Cn1c(C(=O)NCc2ccc3c(c2)CCN(C2CCCCC2)C3)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRL1 P41146 1/20 0.44
TP53 P04637 4/20 0.43
LMNA P02545 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 2/20 0.43
CHRNA7 P36544 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL116750 0.99 ROCK2 (0.46) ROCK2MEN1KMT2AL3MBTL1OPRL1
SCHEMBL118485 0.97 ROCK2 (0.46) ROCK2MEN1KMT2AL3MBTL1OPRL1
SCHEMBL566537 0.91 ROCK2 (0.44) ROCK2MEN1KMT2AL3MBTL1TP53
SCHEMBL175520 0.89 QRFPR (0.57) ROCK2MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL566626 0.85 ROCK2 (0.59) ROCK2MEN1KMT2AL3MBTL1TP53
SCHEMBL117608 0.82 ROCK2 (0.48) ROCK2MEN1KMT2AL3MBTL1TP53
SCHEMBL168400 0.78 ESR2 (0.50) ROCK2MEN1KMT2AL3MBTL1TP53
SCHEMBL167070 0.76 MEN1 (0.49) ROCK2MEN1KMT2AL3MBTL1TP53
SCHEMBL4771567 0.76 ROCK2 (0.46) ROCK2MEN1KMT2ATP53RXFP1
SCHEMBL14072506 0.74 ROCK2 (0.49) ROCK2MEN1KMT2AL3MBTL1TP53

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 3 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 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

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 ROCK2 1387/4885MEN1 2469/4885KMT2A 1572/4885

“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.