SCHEMBL2805476

SCHEMBL2805476

N#Cc1ccc(F)cc1Nc1ccc(CNC(=O)C2(C(N)=O)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.39
MET P08581 2/20 0.38
LRRK2 Q5S007 1/20 0.37
PRKAA2 P54646 1/20 0.36
TTK P33981 1/20 0.36
RAB9A P51151 4/20 0.36
NAMPT P43490 2/20 0.36
POLB P06746 2/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AXL P30530 1/20 0.34
KMT2A Q03164 1/20 0.34
IMPDH2 P12268 1/20 0.34

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
SCHEMBL2792629 0.92 METAP2 (0.39) METAP2METLRRK2PRKAA2TTK
SCHEMBL2805481 0.87 AKT2 (0.39) METAP2LRRK2PRKAA2TTKRAB9A
SCHEMBL2806814 0.82 LRRK2 (0.42) LRRK2PRKAA2TTKRAB9ANAMPT
SCHEMBL2801961 0.81 CYP2C9 (0.39) METAP2METRAB9APOLBNPC1
SCHEMBL2809557 0.80 METAP2 (0.38) METAP2METLRRK2RAB9ANAMPT
SCHEMBL2795820 0.79 LRRK2 (0.36) METAP2METLRRK2RAB9ANAMPT
SCHEMBL2804886 0.79 AKT2 (0.39) METAP2LRRK2PRKAA2TTKRAB9A
SCHEMBL2798108 0.79 TRPV1 (0.40) METAP2NAMPT
SCHEMBL2808193 0.77 BDKRB1 (0.47) LRRK2PRKAA2NAMPTALDH1A1
SCHEMBL202538 0.74 BDKRB1 (0.38) METAP2LRRK2PRKAA2TTKNAMPT

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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 METAP2 3017/4885MET 2161/4885LRRK2 2304/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 METAP2 3017/4885MET 2161/4885LRRK2 2304/4885

“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.