SCHEMBL5952735

SCHEMBL5952735

CC1Cc2c(cccc2-c2ccc(NN)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.54
KDR P35968 7/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
ROCK2 O75116 2/20 0.33
MAP4K4 O95819 2/20 0.33
LCK P06239 2/20 0.33
RET P07949 2/20 0.33
PIM1 P11309 2/20 0.33
RPS6KB1 P23443 2/20 0.33
BLK P51451 2/20 0.33
STK3 Q13188 2/20 0.33
ROCK1 Q13464 2/20 0.33
NTRK3 Q16288 2/20 0.33
TAOK1 Q7L7X3 2/20 0.33
HIPK4 Q8NE63 2/20 0.33
AURKB Q96GD4 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
MAP4K5 Q9Y4K4 2/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL5952789 0.83 ACHE (0.58) ACHEKDRBRD4CREBBPFLT3
SCHEMBL5952058 0.81 ACHE (0.60) ACHEBRD4CREBBP
SCHEMBL5951545 0.81 ACHE (0.65) ACHEKDR
SCHEMBL3066323 0.81 ACHE (0.64) ACHEBRD4CREBBP
SCHEMBL5953275 0.80 ACHE (0.58) ACHE
SCHEMBL5952785 0.80 ACHE (0.58) ACHE
SCHEMBL5952600 0.80 ACHE (0.59) ACHE
SCHEMBL5952061 0.80 ACHE (0.58) ACHE
SCHEMBL5952245 0.80 ACHE (0.47) ACHEBRD4CREBBP
SCHEMBL5952071 0.78 ACHE (0.55) ACHEBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885KDR 2027/4885BRD4 3097/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885KDR 2158/4885BRD4 3045/4885

“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.