Sugi Predict

Sugi Predict / Compounds / SCHEMBL952844

SCHEMBL952844

SCHEMBL952844

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KCNK3 O14649 2/20 0.32
▸ KCNK9 Q9NPC2 2/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 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 0.92 F2RL1 (0.38) F2RL1GABRA5KCNK3KCNK9
SCHEMBL954747 0.92 F2RL1 (0.37) F2RL1MAPTKCNK3KCNK9
SCHEMBL6842926 0.83 CKS1B (0.35) GABRA5CKS1BSKP1SKP2
SCHEMBL13256833 0.82 F2RL1 (0.32) F2RL1
SCHEMBL952687 0.80 AKT1 (0.35) F2RL1TP53MAPTALOX5
SCHEMBL13256842 0.80 F2RL1 (0.31) F2RL1
SCHEMBL12947617 0.80 F2RL1 (0.31) F2RL1
SCHEMBL952549 0.79 F2RL1 (0.34) F2RL1
SCHEMBL6845041 0.79 F2RL1 (0.30) F2RL1
SCHEMBL954537 0.78 F2RL1 (0.33) F2RL1

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 10 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-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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US 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
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 4757/4885NSD2 1965/4885TP53 713/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL1 1942/4885NSD2 3106/4885TP53 1415/4885

“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.