SCHEMBL4477296

SCHEMBL4477296

CN1CCN(C(=O)c2ccc(N/C(=C3\C(=O)Nc4cc(C#N)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
NAMPT P43490 7/20 0.45
EGLN1 Q9GZT9 2/20 0.44
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 2/20 0.41
FLT3 P36888 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNA5 P22460 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL4477298 1.00 GRM5 (0.46) GRM5NAMPTEGLN1CDK5CDK5R1
SCHEMBL4484864 0.89 TYK2 (0.40) NAMPTCDK1
SCHEMBL4484861 0.89 TYK2 (0.40) NAMPTCDK1
SCHEMBL3847376 0.88 CDK5 (0.47) GRM5NAMPTCDK5CDK5R1CYP2C9
SCHEMBL4491359 0.87 POLB (0.45) GRM5NAMPTCDK5CDK5R1CYP2C9
SCHEMBL4491364 0.87 POLB (0.45) GRM5NAMPTCDK5CDK5R1CYP2C9
SCHEMBL4501781 0.86 EPHX2 (0.53) GRM5NAMPTCDK5CDK5R1CYP2C9
SCHEMBL4504619 0.86 PIM1 (0.47) GRM5NAMPTCDK5CDK5R1CYP2C9
SCHEMBL4504622 0.86 PIM1 (0.47) GRM5NAMPTCDK5CDK5R1CYP2C9
SCHEMBL4501778 0.86 EPHX2 (0.53) GRM5NAMPTCDK5CDK5R1CYP2C9

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR GRM5 1539/4885NAMPT 3483/4885EGLN1 3456/4885

“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.