SCHEMBL712880

SCHEMBL712880

[c]1ccccc1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.53
CCR5 P51681 3/20 0.53
CCR8 P51685 3/20 0.53
KDM4E B2RXH2 9/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 3/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALPL P05186 1/20 0.52
HSP90AA1 P07900 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL9957609 0.82 KDM4E (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9958223 0.81 CYP2A6 (0.43) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL37815 0.81 KDM4E (0.54) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4951059 0.81 KDM4E (0.70) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL22761406 0.79 KDM4E (0.67) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL12925673 0.79 KDM4E (0.67) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL10031167 0.77 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13311187 0.77 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14297308 0.77 KDM4E (0.78) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL12925692 0.77 KDM4E (0.78) CCR1CCR5CCR8KDM4ELMNA

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 CCR1 4573/4885CCR5 4283/4885CCR8 3028/4885

“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.