SCHEMBL18774828

SCHEMBL18774828

Cc1cnc2ncc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ GPR3 P46089 1/20 0.48
▸ CYP2A6 P11509 4/20 0.44
▸ CCR1 P32246 2/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ CCR8 P51685 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ COPS5 Q92905 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NR1I2 O75469 1/20 0.36

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
SCHEMBL19820713 0.79 KDM4E (0.56) KDM4ECYP1A2GPR3CYP2A6ALDH1A1
SCHEMBL840612 0.76 KDM4E (0.62) KDM4ECYP1A2GPR3CYP2A6ALDH1A1
SCHEMBL13169343 0.76 CYP1A2 (0.58) KDM4ECYP1A2GPR3CYP2A6CCR1
SCHEMBL19007828 0.74 CYP1A2 (0.56) KDM4ECYP1A2GPR3CYP2A6CCR1
SCHEMBL2406867 0.74 KDM4E (0.54) KDM4EGPR3CYP2A6CCR1CCR5
SCHEMBL30598019 0.74 KDM4E (0.54) KDM4EGPR3CYP2A6CCR1CCR5
SCHEMBL24608626 0.73 KDM4E (0.48) KDM4ECYP1A2GPR3CYP2A6HSD17B10
SCHEMBL670495 0.73 KDM4E (0.59) KDM4ECYP1A2GPR3ALDH1A1HSD17B10
SCHEMBL31318624 0.72 KDM4E (0.52) KDM4EGPR3CYP2A6CCR1CCR5
SCHEMBL29077538 0.72 KDM4E (0.52) KDM4EGPR3CYP2A6CCR1CCR5

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-20170117478-A1 ORGANIC LIGHT EMITTING DEVICE SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2017-04-27 — — 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-20170117478-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, ELOVL1, LAGE3 KDM4E 788/4885CYP1A2 82/4885GPR3 3989/4885

“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.

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