Sugi Predict

Sugi Predict / Compounds / SCHEMBL9108830

SCHEMBL9108830

SCHEMBL9108830

CC(=O)Nc1cc(-c2cc(-c3nnc[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)o2)c(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ F10 P00742 2/20 0.34
▸ CCR3 P51677 4/20 0.34
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL9890493 0.91 WDR5 (0.36) KDM4EALDH1A1WDR5F10CNR2
SCHEMBL9888610 0.86 S1PR4 (0.38) ALDH1A1F10HSP90AA1HSP90AB1PIK3C3
SCHEMBL9888752 0.85 USP2 (0.36) KDM4EALDH1A1GAAWDR5F10
SCHEMBL9104256 0.83 PIK3C3 (0.40) KDM4EALDH1A1PIK3C3LMNAMAPT
SCHEMBL9890040 0.78 WDR5 (0.36) KDM4EALDH1A1WDR5F10CNR2
SCHEMBL9889941 0.77 PIK3C3 (0.36) KDM4EALDH1A1PIK3C3SMN1; SMN2
SCHEMBL9105855 0.76 KDM4E (0.39) KDM4EALDH1A1GAAWDR5F10
SCHEMBL9888724 0.73 KDM4E (0.38) KDM4EALDH1A1GAAWDR5F10
SCHEMBL9890604 0.72 PIK3C3 (0.45) PIK3C3
SCHEMBL9106023 0.72 S1PR4 (0.35) ALDH1A1F10HSP90AA1HSP90AB1PIK3C3

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-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 — — 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 KDM4E 2506/4885ALDH1A1 1905/4885GAA 243/4885

“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.