SCHEMBL5413101

SCHEMBL5413101

Cn1cc2cc(NC3CCNCC3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
HTR6 P50406 10/20 0.43
HTR2B P41595 4/20 0.43
HTR1A P08908 3/20 0.43
KHK P50053 1/20 0.43
TLR8 Q9NR97 1/20 0.43
MET P08581 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
AXL P30530 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NMT1 P30419 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 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
Hydrochloric Acid SCHEMBL5407757 0.99 KDM4E (0.48) KDM4EHTR6HTR2BHTR1AKHK
SCHEMBL13106872 0.87 KDM4E (0.52) KDM4EMAOAMAOB
SCHEMBL14077547 0.85 KDM4E (0.50) KDM4EMETPDE3BPDE3AMAOA
SCHEMBL14077546 0.84 KDM4E (0.49) KDM4EMETPDE3BPDE3AAXL
SCHEMBL25151172 0.81 WEE1 (0.43) HTR6HTR2BHTR1AKHKDDB1
SCHEMBL25150675 0.80 WEE1 (0.45) HTR6KHKDDB1CRBN
SCHEMBL23290266 0.78 TLR8 (0.43) TLR8METPDE3BPDE3A
Hydrochloric Acid SCHEMBL23803113 0.77 DYRK2 (0.43) TLR8METPDE3BPDE3A
Hydrochloric Acid SCHEMBL31109894 0.76 MET (0.37) TLR8METPDE3BPDE3ANMT1
SCHEMBL5408219 0.76 ROCK2 (0.59) KDM4E

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
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA KDM4E 1759/4885HTR6 4231/4885HTR2B 4368/4885

“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.