SCHEMBL2811096

SCHEMBL2811096

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.41
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
BDKRB1 P46663 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL2811098 1.00 NAMPT (0.41) NAMPTMYCMAXBDKRB1MEN1
SCHEMBL13128468 0.92 BDKRB1 (0.38) NAMPTMYCMAXBDKRB1AURKA
SCHEMBL2806710 0.91 BDKRB1 (0.46) NAMPTMYCMAXBDKRB1AURKA
SCHEMBL2805157 0.89 AURKA (0.39) MYCMAXBDKRB1AURKA
SCHEMBL2805158 0.89 AURKA (0.39) MYCMAXBDKRB1AURKA
SCHEMBL2811894 0.89 AURKA (0.39) MYCMAXBDKRB1AURKA
SCHEMBL2811891 0.89 AURKA (0.39) MYCMAXBDKRB1AURKA
SCHEMBL2806970 0.89 AURKA (0.39) MYCMAXBDKRB1AURKA
SCHEMBL2806967 0.89 AURKA (0.39) MYCMAXBDKRB1AURKA
SCHEMBL2804848 0.88 BDKRB1 (0.38) MYCMAXBDKRB1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NAMPT 3026/4885MYC 4605/4885MAX 3525/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NAMPT 3026/4885MYC 4605/4885MAX 3525/4885

“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.