SCHEMBL23079802

SCHEMBL23079802

Clc1nc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)nc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.62
CCR5 P51681 3/20 0.62
CCR8 P51685 3/20 0.62
KDM4E B2RXH2 6/20 0.52
TP53 P04637 6/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
ALOX15 P16050 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 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
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 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
SCHEMBL12925805 0.91 CCR1 (0.62) CCR1CCR5CCR8KDM4ETP53
SCHEMBL12925582 0.84 CCR1 (0.58) CCR1CCR5CCR8KDM4ETP53
SCHEMBL9958454 0.83 CCR1 (0.53) CCR1CCR5CCR8KDM4ETP53
SCHEMBL18327557 0.81 CCR1 (0.51) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30168346 0.81 KDM4E (0.78) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30168347 0.81 KDM4E (0.78) CCR1CCR5CCR8KDM4ETP53
SCHEMBL17761190 0.81 KDM4E (0.78) CCR1CCR5CCR8KDM4ETP53
SCHEMBL4951059 0.81 KDM4E (0.70) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30554068 0.81 KDM4E (0.64) CCR1CCR5CCR8KDM4ETP53
SCHEMBL17915427 0.81 KDM4E (0.64) CCR1CCR5CCR8KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2021-03-11 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-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, EED, OCIAD2 CCR1 4277/4885CCR5 3798/4885CCR8 2639/4885

“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.