SCHEMBL4484864

SCHEMBL4484864

CN1CCN(C(=O)Cc2ccc(NC(=C3C(=O)Nc4cc(C#N)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.40
MLNR O43193 4/20 0.38
CYP3A4 P08684 1/20 0.38
FAAH O00519 2/20 0.38
EP300 Q09472 1/20 0.38
NAMPT P43490 3/20 0.37
GAA P10253 1/20 0.36
PANK3 Q9H999 2/20 0.36
MAPT P10636 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL4484861 1.00 TYK2 (0.40) TYK2MLNRCYP3A4FAAHEP300
SCHEMBL4477296 0.89 GRM5 (0.46) NAMPTCDK1
SCHEMBL4477298 0.89 GRM5 (0.46) NAMPTCDK1
SCHEMBL4484798 0.88 TYK2 (0.44) TYK2MLNRCYP3A4NAMPTGAA
SCHEMBL4487775 0.88 PIM1 (0.43) TYK2NAMPTGAAMAPT
SCHEMBL4487772 0.88 PIM1 (0.43) TYK2NAMPTGAAMAPT
SCHEMBL4484795 0.88 TYK2 (0.44) TYK2MLNRCYP3A4NAMPTGAA
SCHEMBL3942182 0.87 SMN1; SMN2 (0.41) NAMPTMAPT
SCHEMBL3942420 0.87 SMN1; SMN2 (0.41) TYK2MLNRNAMPTMAPT
SCHEMBL3942422 0.87 SMN1; SMN2 (0.41) TYK2MLNRNAMPTMAPT

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 TYK2 64/4885MLNR 748/4885CYP3A4 441/4885

“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.