SCHEMBL12079396

SCHEMBL12079396

CN1CCN=C1c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
NISCH Q9Y2I1 1/20 0.43
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL30472773 0.78 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30472772 0.78 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12445677 0.76 SIGMAR1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11187690 0.76 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11187693 0.76 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL122260 0.73 ADORA3 (0.46) LMNAPOLBALDH1A1
SCHEMBL14085132 0.70 TOP2A (0.44) PDCD1LG2CD274
SCHEMBL24503950 0.68 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL11226497 0.68 KDM4E (0.70) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL28393736 0.67 KDM4E (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226041-A1 CATALYSTS AND BORONATE ESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-06 US claimed
US-20120226041-A1 CATALYSTS AND BORONATE ESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-06 US disclosed
US-20120226041-A1 CATALYSTS AND BORONATE ESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-06 US disclosed
EP-2085450-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-08-05 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-20120226041-A1 CATALYSTS AND BORONATE ESTERS BCHE, BRI3BP, BRAP KDM4E 575/4885LMNA 2087/4885CCR1 857/4885

“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.