SCHEMBL17602155

SCHEMBL17602155

CN(Cc1ccccc1)c1cccc(Oc2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
MAP2K7 O14733 1/20 0.45
GRM2 Q14416 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
CETP P11597 2/20 0.41
IP6K1 Q92551 1/20 0.40
DHFR P00374 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
GRM5 P41594 1/20 0.39
PPARA Q07869 1/20 0.39
LOX P28300 1/20 0.39
CSF1R P07333 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL17602318 0.85 KDM4C (0.47) KDM4CGRM2IP6K1LOXL2
SCHEMBL17602146 0.82 TLR4 (0.48) KDM4CTLR4TLR2IP6K1LOXL2
SCHEMBL5115741 0.79 TLR4 (0.47) GRM2TLR4TLR2IP6K1LOXL2
SCHEMBL10889202 0.77 CALM1 (0.56) CSF1R
SCHEMBL3235759 0.76 CYP2D6 (0.40) MAP2K7TLR4TLR2GRM5FFAR4
SCHEMBL5024643 0.76 TLR4 (0.47) TLR4TLR2LOXL2GRM5LOX
SCHEMBL12129555 0.74 TLR4 (0.56) TLR4TLR2IP6K1LOXL2GRM5
SCHEMBL29612417 0.74 TLR4 (0.56) TLR4TLR2IP6K1LOXL2GRM5
SCHEMBL27234543 0.73 MGLL (0.46) TLR4TLR2LOXL2GRM5FFAR4
SCHEMBL17609167 0.73 KDM4C (0.60) KDM4CGRM2CETPIP6K1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193601-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 EP disclosed
US-9643965-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-05-09 US disclosed
WO-2016044429-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed
US-20160083379-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-03-24 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 (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-20160083379-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C KDM4C 9/4885MAP2K7 3737/4885GRM2 2310/4885

“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.