SCHEMBL17192002

SCHEMBL17192002

COc1ccc(COc2cc3c(=O)n(CC45CCN(CC4)CC5)[nH]c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.35
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ADAM17 P78536 4/20 0.32
CCR4 P51679 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL15680644 0.85 KIT (0.38) KITKDM4EPOLBP2RY12ADAMTS5
SCHEMBL17181446 0.80 KDM4E (0.43) KDM4ELMNACYP3A4CYP2C9ALDH1A1
SCHEMBL15680636 0.78 NPBWR1 (0.39) KIT
SCHEMBL15680337 0.78 NPBWR1 (0.39) KITKDM4ELMNAPOLBCYP1A2
SCHEMBL17181555 0.78 TNF (0.39) KITKDM4ELMNAPOLBCYP1A2
SCHEMBL17181429 0.73 TNF (0.38) KITALDH1A1KMT2ACCR4MMP13
SCHEMBL15680282 0.71 GRM5 (0.40) P2RY12GAAADAMTS5MEN1KMT2A
SCHEMBL15680553 0.70 HDAC6 (0.45) KITKMT2AMMP13
SCHEMBL15680543 0.70 KDM4E (0.35) KDM4ELMNAPOLBP2RY12CYP1A2
SCHEMBL15671526 0.70 KCNH2 (0.42) KDM4ELMNAPOLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL KIT 4444/4885KDM4E 1724/4885LMNA 2931/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 KIT 2043/4885KDM4E 2208/4885LMNA 3555/4885

“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.