SCHEMBL322162

SCHEMBL322162

Nc1nc2c(s1)CC(N1CCN(C3CC3)CC1)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 6/20 0.47
KCNH2 Q12809 1/20 0.47
DRD3 P35462 6/20 0.46
ADRA2A P08913 3/20 0.46
HRH2 P25021 2/20 0.46
DRD4 P21917 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA1A P35348 2/20 0.46
HRH1 P35367 2/20 0.46
ADRB2 P07550 1/20 0.46

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
SCHEMBL7315449 0.91 LMNA (0.48) LMNAMAPTPOLBGAATSHR
SCHEMBL320824 0.90 DRD3 (0.46) LMNAMAPTPOLBGAATSHR
Hydrochloric Acid SCHEMBL7325859 0.89 ADRA2A (0.47) LMNAMAPTPOLBGAATSHR
SCHEMBL6032898 0.89 APOBEC3A (0.49) LMNAMAPTPOLBGAATSHR
Bromide SCHEMBL13387488 0.88 APOBEC3A (0.47) LMNAMAPTPOLBGAATSHR
Hydrochloric Acid SCHEMBL7315340 0.88 APOBEC3A (0.47) LMNAMAPTPOLBGAATSHR
Hydrochloric Acid SCHEMBL7325267 0.88 APOBEC3A (0.47) LMNAMAPTPOLBGAATSHR
SCHEMBL2712761 0.88 LMNA (0.46) LMNAMAPTPOLBGAATSHR
Bromide SCHEMBL2710835 0.88 APOBEC3A (0.47) LMNAMAPTPOLBGAATSHR
SCHEMBL2713361 0.87 LMNA (0.45) LMNAMAPTPOLBGAATSHR

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
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA LMNA 1484/4885MAPT 791/4885POLB 2711/4885

“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.