SCHEMBL13360490

SCHEMBL13360490

Cc1c(C(C)C)sc2c1CCSC2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33

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
SCHEMBL13328152 0.81 KDM4E (0.34) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13360470 0.75 HSD17B10 (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL19359600 0.75 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13360484 0.73 ALOX15 (0.35) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13744155 0.69 ADORA1 (0.38) PTPN1
SCHEMBL14226084 0.62
SCHEMBL13228782 0.59
SCHEMBL10093816 0.56 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL18237752 0.56 GRM5 (0.33)
SCHEMBL13328146 0.55 ALOX15 (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399659-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 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-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA KDM4E 492/4885MEN1 1012/4885ALDH1A1 3480/4885
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KDM4E 774/4885MEN1 717/4885ALDH1A1 3815/4885

“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.