SCHEMBL1048210

SCHEMBL1048210

Cc1nc2ccc(CN3CCN(C(=O)O)CC3)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.38
KCNK3 O14649 6/20 0.35
KCNK9 Q9NPC2 6/20 0.35
SLC2A1 P11166 4/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDR P35968 1/20 0.31
GABRA5 P31644 1/20 0.31
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31

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
SCHEMBL954747 0.95 F2RL1 (0.37) F2RL1KCNK3KCNK9SLC2A1KMT2A
SCHEMBL952844 0.92 F2RL1 (0.35) F2RL1KCNK3KCNK9GABRA5
SCHEMBL954329 0.90 F2RL1 (0.32) F2RL1
SCHEMBL13256833 0.86 F2RL1 (0.32) F2RL1ABL1SMN1; SMN2AKT1AKT2
SCHEMBL952687 0.83 AKT1 (0.35) F2RL1ABL1KDM4EALDH1A1GAA
SCHEMBL12947617 0.83 F2RL1 (0.31) F2RL1
SCHEMBL13256842 0.83 F2RL1 (0.31) F2RL1
SCHEMBL952549 0.82 F2RL1 (0.34) F2RL1ABL1
SCHEMBL6845041 0.82 F2RL1 (0.30) F2RL1
SCHEMBL6842948 0.82 METTL3 (0.35) F2RL1GABRA5ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 F2RL1 4757/4885KCNK3 4033/4885KCNK9 3915/4885

“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.