SCHEMBL2725640

SCHEMBL2725640

CCOC(=O)c1cccc(Nc2c(C(N)=O)cnc3cc(-c4cnc(C)n4C)ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CSF1R P07333 14/20 0.52
CREBBP Q92793 1/20 0.51
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL15208619 0.92 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723994 0.89 CSF1R (0.59) CSF1RCYP3A4CYP2C9
SCHEMBL2723463 0.86 CSF1R (0.57) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2726227 0.85 CSF1R (0.58) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2726945 0.84 CSF1R (0.57) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723598 0.84 CYP3A4 (0.52) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723613 0.83 CSF1R (0.63) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723683 0.83 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723375 0.83 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R
SCHEMBL2723941 0.83 MTOR (0.60) KDM4EALDH1A1SMN1; SMN2RXFP1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB KDM4E 1541/4885ALDH1A1 33/4885SMN1; SMN2 4267/4885

“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.