SCHEMBL13328191

SCHEMBL13328191

C=C(C(C)C)N1CCCC(NC)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM1A O60341 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.31
HRH4 Q9H3N8 4/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL13328195 0.89 HRH4 (0.34) KDM1AHRH4
SCHEMBL13328202 0.81
SCHEMBL14457193 0.80 CA1 (0.38) CA1CA2CA12CA9KDM1A
SCHEMBL24928207 0.79 HPGD (0.33) GAACYP2C9CYP2C19
SCHEMBL13328193 0.78 EPHX2 (0.31)
SCHEMBL23153413 0.77 CA12 (0.47) CA1CA2CA12CA9KMT2A
SCHEMBL16849113 0.77 ALDH1A1 (0.47) CA1CA2CA12CA9GAA
SCHEMBL28206408 0.74 CA1 (0.46) CA1CA2CA12CA9LMNA
SCHEMBL20125424 0.73 JAK3 (0.35) CA1CA2CA12CA9
SCHEMBL24244429 0.73 JAK3 (0.48) CA1CA2CA12CA9KMT2A

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-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
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (3 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-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB CA1 3017/4885CA2 1868/4885CA12 2704/4885
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA CA1 4025/4885CA2 2736/4885CA12 4003/4885
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB CA1 3017/4885CA2 1868/4885CA12 2704/4885

“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.