SCHEMBL954747

SCHEMBL954747

CC(=O)N1CCN(Cc2ccc3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn(C6CCCCO6)n5)s4)n3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.37
KDR P35968 2/20 0.36
SLC2A1 P11166 3/20 0.35
KCNK3 O14649 4/20 0.34
KCNK9 Q9NPC2 4/20 0.34
GRM5 P41594 1/20 0.34
METTL3 Q86U44 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LTA4H P09960 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1048210 0.95 F2RL1 (0.38) F2RL1KDRSLC2A1KCNK3KCNK9
SCHEMBL952844 0.92 F2RL1 (0.35) F2RL1KCNK3KCNK9MAPT
SCHEMBL954329 0.87 F2RL1 (0.32) F2RL1
SCHEMBL13256833 0.85 F2RL1 (0.32) F2RL1AKT1AKT2
SCHEMBL952687 0.83 AKT1 (0.35) F2RL1ALDH1A1MAPTAKT1AKT2
SCHEMBL13256842 0.83 F2RL1 (0.31) F2RL1
SCHEMBL12947617 0.83 F2RL1 (0.31) F2RL1
SCHEMBL952549 0.82 F2RL1 (0.34) F2RL1
SCHEMBL6845041 0.82 F2RL1 (0.30) F2RL1
SCHEMBL6842948 0.81 METTL3 (0.35) F2RL1METTL3

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 F2RL1 4757/4885KDR 1800/4885SLC2A1 307/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL1 1942/4885KDR 195/4885SLC2A1 1387/4885

“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.