SCHEMBL951780

SCHEMBL951780

COc1ccccc1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
MAPK14 Q16539 1/20 0.36
TP53 P04637 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
SCHEMBL954019 0.91 HTT (0.39) HIF1AEPAS1SMN1; SMN2KDM4EHPGD
SCHEMBL956093 0.91 SMN1; SMN2 (0.38) HIF1ASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL953401 0.91 KDM4E (0.42) SMN1; SMN2KDM4EHPGDALDH1A1RAB9A
SCHEMBL954096 0.89 CDC7 (0.46) HIF1AEPAS1SMN1; SMN2KDM4EHPGD
SCHEMBL953922 0.87 MAP4K1 (0.36) SMN1; SMN2
SCHEMBL956374 0.87 KMT2A (0.39) SMN1; SMN2HPGDALDH1A1TSHRMAPT
SCHEMBL953589 0.86 CDC7 (0.43) SMN1; SMN2KDM4EHPGDALDH1A1RAB9A
SCHEMBL955904 0.86 CDC7 (0.40) SMN1; SMN2KDM4EHPGDALDH1A1RAB9A
SCHEMBL953113 0.84 CDC7 (0.50) SMN1; SMN2KDM4EHPGDALDH1A1RAB9A
SCHEMBL953949 0.84 CDC7 (0.43) SMN1; SMN2HPGDALDH1A1

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 HIF1A 2288/4885EPAS1 3116/4885SMN1; SMN2 3758/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 HIF1A 106/4885EPAS1 394/4885SMN1; SMN2 3959/4885

“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.