SCHEMBL5409211

SCHEMBL5409211

Cc1n[nH]c2ccc(NC3CCNCC3)cc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.60
AXL P30530 4/20 0.54
HTR6 P50406 10/20 0.49
ULK1 O75385 1/20 0.47
HTR1A P08908 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR2B P41595 2/20 0.47

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 SCHEMBL5417051 0.99 ITK (0.59) ITKAXLHTR6ULK1HTR1A
SCHEMBL3555398 0.76 HTR6 (0.72) ITKHTR6HTR1AHTR1DHTR1B
SCHEMBL5413599 0.76 ITK (0.67) ITK
SCHEMBL22253262 0.76 DYRK1A (0.72)
SCHEMBL3552557 0.75 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR2C
Hydrochloric Acid SCHEMBL5408142 0.75 ITK (0.66) ITK
SCHEMBL5412544 0.75 ITK (0.55) ITKAXL
Hydrochloric Acid SCHEMBL3625883 0.74 HTR6 (0.48) ITKAXLHTR6HTR1AHTR1D
SCHEMBL3549315 0.74 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BHTR2C
SCHEMBL16847274 0.74 MAPK1 (0.44) ITK

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 ITK 1422/4885AXL 1805/4885HTR6 4231/4885

“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.