SCHEMBL2910754

SCHEMBL2910754

CC(C)N(C)c1ccc2c(n1)[C@@H](C)CN(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PDK2 Q15119 3/20 0.33
PROKR1 Q8TCW9 1/20 0.32
QRFPR Q96P65 1/20 0.32
ACACB O00763 1/20 0.31
CDK4 P11802 3/20 0.31
FLT3 P36888 3/20 0.31
ABHD6 Q9BV23 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
SCHEMBL2905252 1.00 EDNRB (0.34) EDNRBEDNRAPDK2PROKR1QRFPR
SCHEMBL3806284 0.80 EDNRB (0.33) EDNRBEDNRAPROKR1
SCHEMBL3060798 0.74 HCAR3 (0.40) PDK2CDK4FLT3
SCHEMBL3057601 0.74 HCAR3 (0.40) PDK2CDK4FLT3
SCHEMBL2905250 0.74 HCAR3 (0.40) PDK2CDK4FLT3
SCHEMBL2110258 0.72 RIPK1 (0.33) EDNRBEDNRA
SCHEMBL4198319 0.71 MEN1 (0.34) PROKR1ACACB
SCHEMBL4214604 0.71 HSP90AA1 (0.33) PROKR1CDK4
SCHEMBL2913101 0.70 KDM4E (0.41)
SCHEMBL2910573 0.70 KDM4E (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP 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 EDNRB 181/4885EDNRA 142/4885PDK2 1765/4885

“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.