SCHEMBL13929667

SCHEMBL13929667

c1cc(-c2ccc3ccc4cccnc4c3n2)nc(-c2ccc3ccc4cccnc4c3n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
LMNA P02545 5/20 0.67
CCR1 P32246 4/20 0.67
CCR5 P51681 4/20 0.67
CCR8 P51685 4/20 0.67
HTT P42858 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
TP53 P04637 2/20 0.67
HSP90AA1 P07900 2/20 0.67
MMP2 P08253 2/20 0.67
ALOX15 P16050 2/20 0.67
TSHR P16473 2/20 0.67
MAPT P10636 2/20 0.67
GMNN O75496 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MMP9 P14780 1/20 0.67
NFKB1 P19838 1/20 0.67
MMP8 P22894 1/20 0.67

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
SCHEMBL22101154 0.94 CCR1 (0.76) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17899316 0.94 CCR1 (0.76) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29413987 0.94 CCR1 (0.76) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19268817 0.93 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28370016 0.89 CCR1 (0.53) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1078553 0.88 KDM4E (0.61) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22042789 0.87 LMNA (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30923433 0.87 LMNA (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13045244 0.86 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL20154964 0.86 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
EP-2595208-A1 LIGHT EMITTING ELEMENT Toray Industries, Inc. (JP) 2013-05-22 EP disclosed
US-20130105787-A1 LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2013-05-02 US disclosed
US-20130105787-A1 LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2013-05-02 US disclosed
US-20090042061-A1 ELECTRON TRANSPORTING MATERIALS AND ORGANIC LIGHT-EMITTING DEVICES THEREWITH YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-02-12 US disclosed
US-20090042061-A1 ELECTRON TRANSPORTING MATERIALS AND ORGANIC LIGHT-EMITTING DEVICES THEREWITH YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-02-12 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-20090042061-A1 ELECTRON TRANSPORTING MATERIALS AND ORGANIC LIGHT-EMITTING DEVICES THEREWITH SLC67A1, SLC46A1, ABCC1 KDM4E 3751/4885LMNA 883/4885CCR1 3133/4885

“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.