SCHEMBL3060798

SCHEMBL3060798

CC(C)CNc1ccc2c(n1)[C@@H](C)CN(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CDK4 P11802 3/20 0.37
FLT3 P36888 3/20 0.37
FFAR4 Q5NUL3 3/20 0.34
NAMPT P43490 2/20 0.32
PDK2 Q15119 1/20 0.32
ESR1 P03372 3/20 0.32
HRH4 Q9H3N8 5/20 0.32
KDM6B O15054 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL2905250 1.00 HCAR3 (0.40) HCAR3HCAR2CDK4FLT3FFAR4
SCHEMBL3057601 1.00 HCAR3 (0.40) HCAR3HCAR2CDK4FLT3FFAR4
SCHEMBL2905252 0.74 EDNRB (0.34) CDK4FLT3PDK2
SCHEMBL2910754 0.74 EDNRB (0.34) CDK4FLT3PDK2
SCHEMBL4214600 0.72 HCAR3 (0.45) HCAR3HCAR2CDK4FFAR4ESR1
SCHEMBL2910573 0.68 KDM4E (0.41)
SCHEMBL2910571 0.68 KDM4E (0.41)
SCHEMBL2913101 0.68 KDM4E (0.41)
SCHEMBL15880089 0.66 TP53 (0.32) CDK4FLT3PDK2
SCHEMBL3066827 0.65 PIK3CA (0.40)

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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C HCAR3 430/4885HCAR2 188/4885CDK4 1018/4885

“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.