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Sugi Predict / Compounds / SCHEMBL2015964

SCHEMBL2015964

SCHEMBL2015964

CC(=O)c1cc(C)c2cccnc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.46
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM6A O15550 1/20 0.34
▸ TET3 O43151 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL2014903 0.88 L3MBTL1 (0.41) BRD4HSD11B1PDE4APDE4CPDE4D
SCHEMBL2015940 0.87 HIF1A (0.49) PDE4APDE4CPDE4DHIF1ASLC6A2
SCHEMBL12992671 0.83 BRD4 (0.44) BRD4CCR1CCR8PDE4APDE4C
SCHEMBL21902372 0.76 KDM4E (0.44) BRD4SLC40A1HTTKDM4E
SCHEMBL2015013 0.73 HIF1A (0.44) BRD4PDE4APDE4CPDE4DHIF1A
SCHEMBL2013978 0.73 HTT (0.50) BRD4CCR1CCR8HIF1ASLC6A2
SCHEMBL19358748 0.72 ALDH1A1 (0.54) PDE4APDE4CPDE4DKDM4EL3MBTL1
SCHEMBL2014981 0.72 KMT2A (0.42) HSD11B1HTTKDM4E
SCHEMBL12566059 0.71 SLC40A1 (0.43) CCR1CCR8PDE4APDE4CPDE4D
SCHEMBL2718494 0.71 SLC40A1 (0.47) PDE4APDE4CPDE4DSLC40A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 BRD4 874/4885CCR1 601/4885CCR8 1177/4885

“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.