SCHEMBL4488368

SCHEMBL4488368

O=C1Nc2cc(F)ccc2C1=C(Nc1ccc(C(=O)N2CCNCC2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.48
CDK8 P49336 9/20 0.48
SIGMAR1 Q99720 1/20 0.47
BACE1 P56817 1/20 0.45
TDO2 P48775 1/20 0.43
FLT3 P36888 1/20 0.42
NAMPT P43490 4/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
EPHX2 P34913 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 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
SCHEMBL4488363 1.00 CCNC (0.48) CCNCCDK8SIGMAR1BACE1TDO2
SCHEMBL4504723 0.91 BACE1 (0.46) BACE1FLT3NAMPTCYP3A4USP2
SCHEMBL4504719 0.91 BACE1 (0.46) BACE1FLT3NAMPTCYP3A4USP2
SCHEMBL3847391 0.90 CCNC (0.49) CCNCCDK8SIGMAR1BACE1FLT3
SCHEMBL4501778 0.90 EPHX2 (0.53) BACE1FLT3NAMPTCYP3A4USP2
SCHEMBL4501781 0.90 EPHX2 (0.53) BACE1FLT3NAMPTCYP3A4USP2
SCHEMBL4498423 0.89 CCNC (0.48) CCNCCDK8SIGMAR1FLT3NAMPT
SCHEMBL4498428 0.89 CCNC (0.48) CCNCCDK8SIGMAR1FLT3NAMPT
Trifluoroacetic Acid SCHEMBL5271591 0.87 CCNC (0.45) CCNCCDK8SIGMAR1BACE1FLT3
SCHEMBL3849875 0.87 CCNC (0.46) CCNCCDK8SIGMAR1FLT3NAMPT

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 CCNC 586/4885CDK8 367/4885SIGMAR1 916/4885

“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.