SCHEMBL4529142

SCHEMBL4529142

Cc1ccc(N(Cl)c2cncc(C(=O)N3CCCC3c3ccccc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
SCD O00767 5/20 0.46
ROCK2 O75116 2/20 0.45
CCNC P24863 3/20 0.45
CDK8 P49336 3/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
SCD5 Q86SK9 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 1/20 0.44
GSK3A P49840 1/20 0.44
CDK9 P50750 1/20 0.44
SLC6A3 Q01959 1/20 0.44
RIPK1 Q13546 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 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
SCHEMBL5909354 0.82 CCNC (0.56) SCDROCK2CCNCCDK8PRMT5
SCHEMBL4515095 0.78 GRM5 (0.58) GRM5
SCHEMBL4528127 0.76 GRM5 (0.58) GRM5ALDH1A1
SCHEMBL5909347 0.75 ALDH1A1 (0.59) GRM5PRMT5WDR77KDM4EALDH1A1
SCHEMBL990302 0.73 GRM5 (0.71) GRM5CCNCCDK8PRMT5WDR77
SCHEMBL4530472 0.73 GABRA5 (0.39) GRM5ALDH1A1
SCHEMBL991465 0.71 GRM5 (0.75) GRM5PRMT5WDR77
SCHEMBL19349773 0.68 CCNC (0.59) SCDROCK2CCNCCDK8PRMT5
SCHEMBL164387 0.68 PARP14 (0.60) SCDROCK2SCD5RIPK1HSP90AA1
SCHEMBL17514180 0.68 CCNC (0.59) SCDROCK2CCNCCDK8PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US claimed

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-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885SCD 1231/4885ROCK2 4143/4885

“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.