SCHEMBL22101154

SCHEMBL22101154

c1cnc2c(c1)ccc1ccc(-c3ccc4ccc5ccc(-c6ccc7ccc8cccnc8c7n6)nc5c4n3)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.76
CCR8 P51685 5/20 0.76
LMNA P02545 4/20 0.76
CCR5 P51681 3/20 0.76
KDM4E B2RXH2 3/20 0.76
MMP2 P08253 2/20 0.76
TSHR P16473 2/20 0.76
MAPT P10636 2/20 0.76
HTT P42858 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
GMNN O75496 1/20 0.76
TP53 P04637 1/20 0.76
HSP90AA1 P07900 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
MMP9 P14780 1/20 0.76
ALOX15 P16050 1/20 0.76
NFKB1 P19838 1/20 0.76
MMP8 P22894 1/20 0.76

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
SCHEMBL29413987 1.00 CCR1 (0.76) CCR1CCR8LMNACCR5KDM4E
SCHEMBL17899316 1.00 CCR1 (0.76) CCR1CCR8LMNACCR5KDM4E
SCHEMBL13929667 0.94 KDM4E (0.67) CCR1CCR8LMNACCR5KDM4E
SCHEMBL13045244 0.92 CCR1 (0.64) CCR1CCR8LMNACCR5KDM4E
SCHEMBL14184271 0.92 CCR1 (0.64) CCR1CCR8LMNACCR5KDM4E
SCHEMBL31069689 0.90 LMNA (0.61) CCR1CCR8LMNACCR5KDM4E
SCHEMBL1078553 0.90 KDM4E (0.61) CCR1CCR8LMNACCR5KDM4E
SCHEMBL17899339 0.89 CCR1 (0.67) CCR1CCR8LMNACCR5KDM4E
SCHEMBL599374 0.89 LMNA (0.67) CCR1CCR8LMNACCR5KDM4E
SCHEMBL17899340 0.89 CCR1 (0.67) CCR1CCR8LMNACCR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
EP-3667755-A1 ORGANIC LIGHT EMITTING DEVICE, A METHOD FOR MANUFACTURING THE SAME AND A COMPOSITION FOR USE THEREIN Novaled GmbH (DE) 2020-06-17 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-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof PPOX, ESR1, CCNE2 CCR1 3555/4885CCR8 3502/4885LMNA 1877/4885

“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.