SCHEMBL27404283

SCHEMBL27404283

Cc1cnc2ncn(C)c2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ GDA Q9Y2T3 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ MC3R P41968 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ NR2E1 Q9Y466 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ PMP22 Q01453 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31068648 0.80 HRH4 (0.41) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL23107125 0.71 CCR1 (0.35) CCR1CCR5CCR8GDAPIK3CD
SCHEMBL13335019 0.68 ADORA1 (0.47) CCR1CCR5CCR8ADORA2AADORA1
SCHEMBL24393386 0.68 ADORA2A (0.41) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL20203174 0.67 ADORA2A (0.48) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL21049576 0.67 DPP4 (0.46) DPP4DPP8
SCHEMBL15339546 0.67 LMNA (0.35) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL27404280 0.65 CCR1 (0.38) CCR1CCR5CCR8
SCHEMBL4403585 0.64 AHCY (0.50) ADORA2AADORA2BADORA1
SCHEMBL2414858 0.62 ADORA2A (0.40) GDAPIK3CDPOLBADORA3CNR1

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-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 — — 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-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 CCR1 2833/4885CCR5 3216/4885CCR8 3732/4885

“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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