SCHEMBL15764464

SCHEMBL15764464

CC(C)(C)c1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
KDM4E B2RXH2 6/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 3/20 0.57
HTT P42858 3/20 0.57
ALOX15 P16050 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 2/20 0.57
ALPL P05186 1/20 0.57
HSP90AA1 P07900 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL28612141 0.88 CCR1 (0.54) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL811123 0.85 KDM4E (0.54) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL2537192 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL18584032 0.82 CCR1 (0.51) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL10020886 0.81 CCR1 (0.58) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL19411850 0.81 TRPV1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL18760760 0.81 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL6250035 0.81 TRPV1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29637960 0.81 TRPV1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL19037573 0.81 KDM4E (0.54) 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-20210119139-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-04-22 US disclosed
WO-2014082706-A1 COBALT COMPLEXES WITH TRICYANOBORATE OR DICYANOBORATE COUNTER-ANIONS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-06-05 WO 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-20210119139-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME C1S, CRY1, SOS1 CCR1 567/4885CCR5 2187/4885CCR8 3213/4885

“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.