SCHEMBL171604

SCHEMBL171604

Cc1cc(N2Cc3sc(NC(=O)Nc4ccccc4C(=O)NC(C)C)nc3C(C)C2)nc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 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
SCHEMBL799149 0.85 LMNA (0.43) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL798945 0.79 P2RY1 (0.40) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL798946 0.79 P2RY1 (0.40) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL172152 0.75 LMNA (0.43) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL799343 0.74 LMNA (0.42) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL799148 0.74 LMNA (0.43) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL798936 0.73 LMNA (0.44) LMNAALDH1A1KMT2AMEN1
SCHEMBL798719 0.72 F10 (0.42) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL799264 0.71 PIK3CG (0.43) LMNAKMT2AMEN1
SCHEMBL799338 0.70 PIK3CG (0.41) KDM4E

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
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 LMNA 4258/4885KDM4E 2191/4885HTT 2761/4885

“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.