Sugi Predict

Sugi Predict / Compounds / SCHEMBL953958

SCHEMBL953958

SCHEMBL953958

Cc1nn2ccccc2c1-c1nc(C2CCCCC2)c(C(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ PDE4B Q07343 2/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 2/20 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
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL955453 0.91 TSHR (0.42) TSHRPDE4BMAPK9MAPK10PDE10A
SCHEMBL953761 0.90 CHEK1 (0.36) TSHRPDE4BMAPK9MAPK10PDE10A
SCHEMBL953767 0.87 TSHR (0.43) TSHRLMNAALDH1A1HTTKDM4E
SCHEMBL952323 0.81 CNR1 (0.39) TSHRPDE4BMAPK9MAPK10PDE10A
SCHEMBL953497 0.78 CDC7 (0.39) TSHRPDE4BMAPTLMNANPSR1
SCHEMBL952241 0.78 CDC7 (0.52) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL958143 0.78 LMNA (0.38) TSHRPDE4BMAPTLMNANPSR1
SCHEMBL954029 0.78 ALDH1A1 (0.42) TSHRMAPTLMNAALDH1A1HTT
SCHEMBL955033 0.76 LMNA (0.34) TSHRPDE4BMAPTLMNANPSR1
SCHEMBL955218 0.76 ALDH1A1 (0.40) MAPTLMNANPSR1ALDH1A1MEN1

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 TSHR 1608/4885PDE4B 952/4885MAPK9 53/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TSHR 2433/4885PDE4B 2393/4885MAPK9 479/4885

“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.