Sugi Predict

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SCHEMBL953254

SCHEMBL953254

Cc1nc2ccc(C3CCCCC3)cn2c1-c1nc(-c2ccccc2)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.45
▸ AKT1 P31749 2/20 0.43
▸ AKT2 P31751 2/20 0.43
▸ CDC7 O00311 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL954263 0.93 BTK (0.44) F2RL1AKT1AKT2CDC7DBF4
SCHEMBL952127 0.89 CDC7 (0.50) F2RL1AKT1AKT2CDC7DBF4
SCHEMBL953255 0.83 CDC7 (0.49) F2RL1AKT1AKT2CDC7DBF4
SCHEMBL16937989 0.79 AKT1 (0.40) F2RL1AKT1AKT2ALDH1A1HTT
SCHEMBL954429 0.79 AKT1 (0.40) F2RL1AKT1AKT2CDC7DBF4
SCHEMBL952456 0.78 CDC7 (0.51) CDC7DBF4SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL954265 0.75 CDC7 (0.51) AKT1AKT2CDC7DBF4SMN1; SMN2
SCHEMBL952128 0.72 CDC7 (0.58) AKT1AKT2CDC7DBF4SMN1; SMN2
SCHEMBL952459 0.71 TSHR (0.52) CDC7DBF4TSHRSMN1; SMN2ALDH1A1
SCHEMBL955147 0.71 CDC7 (0.57) CDC7DBF4SMN1; SMN2ALDH1A1MEN1

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 4757/4885AKT1 5/4885AKT2 3/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 F2RL1 1942/4885AKT1 4/4885AKT2 7/4885

“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.