SCHEMBL5407977

SCHEMBL5407977

CSc1c(OC2CCCC(N)C2)ccc2[nH]ncc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.36
ROCK1 Q13464 1/20 0.35
PIM1 P11309 1/20 0.34
CHEK1 O14757 1/20 0.33
KCNH2 Q12809 1/20 0.33
AKT2 P31751 1/20 0.31
CDK2 P24941 1/20 0.31
FLT3 P36888 1/20 0.31
CCNA1 P78396 1/20 0.31
MCHR1 Q99705 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
FURIN P09958 1/20 0.30

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
SCHEMBL5407968 1.00 ULK1 (0.36) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5413115 1.00 ULK1 (0.36) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5413111 1.00 ULK1 (0.36) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5407972 1.00 ULK1 (0.36) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5419190 0.89 ULK1 (0.35) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5416107 0.89 ULK1 (0.35) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5416102 0.89 ULK1 (0.35) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5416098 0.89 ULK1 (0.35) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5419184 0.89 ULK1 (0.35) ULK1ROCK1PIM1CHEK1KCNH2
SCHEMBL5409278 0.85 AKT2 (0.33) AKT2CDK2FLT3CCNA1

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 ULK1 1090/4885ROCK1 1/4885PIM1 760/4885

“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.