SCHEMBL2805481

SCHEMBL2805481

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.39
LRRK2 Q5S007 1/20 0.39
METAP2 P50579 2/20 0.38
PRKAA2 P54646 1/20 0.37
RAB9A P51151 4/20 0.37
POLB P06746 2/20 0.37
TTK P33981 1/20 0.37
NAMPT P43490 2/20 0.37
IMPDH2 P12268 1/20 0.37
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRMT3 O60678 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2804886 0.91 AKT2 (0.39) AKT2LRRK2METAP2PRKAA2RAB9A
SCHEMBL2805476 0.87 METAP2 (0.39) LRRK2METAP2PRKAA2RAB9APOLB
Trifluoroacetic Acid SCHEMBL2805210 0.86 AKT2 (0.36) AKT2LRRK2METAP2PRKAA2RAB9A
SCHEMBL2806814 0.84 LRRK2 (0.42) LRRK2PRKAA2RAB9APOLBTTK
SCHEMBL2808648 0.80 AKT2 (0.39) AKT2METAP2RAB9APOLBNPC1
SCHEMBL185133 0.79 CNR2 (0.41) AKT2RAB9APOLBNPC1MAOB
SCHEMBL2792629 0.79 METAP2 (0.39) LRRK2METAP2PRKAA2RAB9APOLB
SCHEMBL2805119 0.78 KDM4E (0.40) AKT2LRRK2METAP2RAB9APOLB
SCHEMBL2809562 0.78 LRRK2 (0.37) AKT2LRRK2METAP2RAB9APOLB
SCHEMBL2808193 0.78 BDKRB1 (0.47) LRRK2PRKAA2NAMPTALDH1A1

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-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

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 AKT2 3922/4885LRRK2 2304/4885METAP2 3017/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AKT2 3922/4885LRRK2 2304/4885METAP2 3017/4885

“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.