SCHEMBL2163161

SCHEMBL2163161

CC(=O)c1cc(F)c2cccnc2c1N1CCN(C2CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HRH3 Q9Y5N1 2/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
F12 P00748 1/20 0.36

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
SCHEMBL2163100 0.88 ALDH1A1 (0.43) HTR1AL3MBTL1KDM4EKDM2B
SCHEMBL2163105 0.84 ALDH1A1 (0.43) HTR1AL3MBTL1HRH3KDM4EKDM2B
SCHEMBL2053767 0.83 ALOX12 (0.44) HTR1AL3MBTL1HRH3KDM4ERAD52
SCHEMBL2164802 0.81 L3MBTL1 (0.42) L3MBTL1KDM4E
SCHEMBL2163892 0.81 L3MBTL1 (0.44) HTR1AL3MBTL1KDM4E
SCHEMBL2164993 0.79 HTR1A (0.44) HTR1AL3MBTL1HRH3KDM4E
SCHEMBL2163251 0.78 ALDH1A1 (0.45) L3MBTL1HRH3KDM4E
SCHEMBL2013524 0.78 HTR1A (0.42) HTR1AL3MBTL1HRH3KDM4ERAD52
SCHEMBL2018094 0.78 HTR1A (0.43) HTR1AL3MBTL1HRH3KDM4ERAD52
SCHEMBL2044308 0.75 MAPT (0.41) L3MBTL1KDM4E

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 HTR1A 2024/4885L3MBTL1 2960/4885HRH3 945/4885

“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.