SCHEMBL6153758

SCHEMBL6153758

COc1cc(N[C@H]2CC[C@H](N)CC2)c(Cl)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
PGR P06401 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
AR P10275 2/20 0.38
HTT P42858 1/20 0.38
SRC P12931 5/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 1/20 0.37
ABL2 P42684 1/20 0.37
CDK2 P24941 2/20 0.36
HTR2A P28223 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MELK Q14680 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL6153762 1.00 CDK7 (0.41) CDK7CDK9PGRALDH1A1KDM4E
SCHEMBL6153414 0.86 NSD2 (0.40) PGRALDH1A1KDM4EUSP2AR
SCHEMBL6153415 0.86 NSD2 (0.40) PGRALDH1A1KDM4EUSP2AR
SCHEMBL6153583 0.86 ROCK2 (0.45) CDK7CDK9ALDH1A1KDM4EUSP2
SCHEMBL6153591 0.86 ROCK2 (0.45) CDK7CDK9ALDH1A1KDM4EUSP2
SCHEMBL6153624 0.85 PGR (0.38) PGRALDH1A1KDM4EUSP2AR
SCHEMBL6155718 0.85 MELK (0.48) PGRALDH1A1ARHTTSRC
SCHEMBL6153630 0.85 PGR (0.38) PGRALDH1A1KDM4EUSP2AR
SCHEMBL6155712 0.85 MELK (0.48) PGRALDH1A1ARHTTSRC
SCHEMBL6154438 0.83 DRD2 (0.38) PGRALDH1A1ARHTTSRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 CDK7 1517/4885CDK9 1375/4885PGR 1690/4885

“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.