SCHEMBL25850566

SCHEMBL25850566

c1ncc2ccc3cncnc3c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.48
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
KDM4E B2RXH2 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL29662000 0.84 CCR1 (0.67) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL596668 0.84 CCR1 (0.67) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL3074807 0.83 EGFR (0.50) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL2422643 0.82 EGFR (0.41) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL11024535 0.81 EGFR (0.36) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL24183815 0.79 CCR1 (0.36) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL31244437 0.79 HTR2A (0.38) EGFRDYRK1A
SCHEMBL30565305 0.79 EGFR (0.52) EGFRKDM4EMAPTTDO2PIK3CD
SCHEMBL8404387 0.79 EGFR (0.38) EGFRCCR1CCR5CCR8KDM4E
SCHEMBL28478447 0.79 P4HB (0.42) EGFRKDM4EP4HBTRPV1

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-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

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 EGFR 2844/4885CCR1 3555/4885CCR5 4597/4885

“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.