SCHEMBL2164802

SCHEMBL2164802

CC(=O)c1cc(F)c2cccnc2c1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.42
MAPT P10636 3/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
NCF1 P14598 1/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCD Q05655 2/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MPI P34949 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL2163836 0.86 ALDH1A1 (0.42) L3MBTL1MAPTHTR2AHTR2CSLC6A4
SCHEMBL2163161 0.81 HTR1A (0.44) L3MBTL1KDM4E
SCHEMBL2163892 0.81 L3MBTL1 (0.44) L3MBTL1MAPTKDM4EMPISLC40A1
SCHEMBL2044308 0.78 MAPT (0.41) L3MBTL1MAPTKDM4EKMT2AALDH1A1
SCHEMBL2017535 0.76 MAPT (0.41) L3MBTL1MAPTHTR2AHTR2CSLC6A4
SCHEMBL12631360 0.75 ALDH1A1 (0.50) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL2015831 0.74 L3MBTL1 (0.60) L3MBTL1MAPTKDM4EMPIMEN1
SCHEMBL12632025 0.74 ALDH1A1 (0.52) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL2164614 0.74 RAB9A (0.46) L3MBTL1MAPTKDM4EMPISLC40A1
SCHEMBL2164647 0.73 L3MBTL1 (0.42) L3MBTL1MAPTKDM4EMPIMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 L3MBTL1 2960/4885MAPT 4496/4885HTR2A 1405/4885

“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.