SCHEMBL6842784

SCHEMBL6842784

Cc1nn2ccsc2c1-c1nc(-c2nnc[nH]2)c(-c2ccccc2)s1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6842718 0.92 KDM5B (0.32) KDM5BKDM4ENPC1ALDH1A1LMNA
Acetic Acid SCHEMBL953502 0.88 KDM5B (0.32) KDM5BKDM4ENPC1ALDH1A1LMNA
SCHEMBL16937993 0.84 MTOR (0.36) KDM5BKDM4ENPC1ALDH1A1LMNA
SCHEMBL954281 0.81 PTGS2 (0.32)
SCHEMBL958319 0.80 KDM5B (0.34) KDM5BKDM4ENPC1ALDH1A1LMNA
SCHEMBL953848 0.80 L3MBTL1 (0.33) KDM5BKDM4EALDH1A1
SCHEMBL6842726 0.79 KDM4E (0.35) KDM5BKDM4ENPC1ALDH1A1LMNA
SCHEMBL954635 0.78 CDC7 (0.33) KDM5BKDM4ENPC1ALDH1A1LMNA
SCHEMBL958045 0.78 MTOR (0.36) KDM5BKDM4ENPC1ALDH1A1LMNA
SCHEMBL956236 0.76 IGF1R (0.35) KDM4ENPC1ALDH1A1LMNARAB9A

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 8 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-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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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 KDM5B 3414/4885KDM4E 1981/4885NPC1 458/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDM5B 3307/4885KDM4E 2304/4885NPC1 1316/4885

“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.