SCHEMBL27404282

SCHEMBL27404282

Cc1ncc2ncn(C)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ DPP8 Q6V1X1 2/20 0.33
▸ 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

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
SCHEMBL26795418 0.82 ADORA2A (0.36) GDADPP4DPP8PIK3CDPOLB
SCHEMBL25112235 0.71 DPP4 (0.36) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL21049576 0.71 DPP4 (0.46) DPP4DPP8
SCHEMBL28897496 0.68 DPP4 (0.41) GDADPP4DPP8PIK3CDPOLB
SCHEMBL10673703 0.67 DPP4 (0.49) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL9207616 0.67 HTR1A (0.41) ALDH1A1MAPTPIK3CDPOLB
SCHEMBL9209624 0.67 DPP4 (0.40) LMNAMAPTDPP4DPP8POLB
SCHEMBL3030522 0.67 DYRK1A (0.35) GDADPP4DPP8PIK3CDPOLB
SCHEMBL20780215 0.67 DYRK1A (0.35) GDADPP4DPP8PIK3CDPOLB
SCHEMBL5528658 0.67 KDM4E (0.42) DPP4DPP8GRM5

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 GDA 1378/4885CYP3A4 248/4885PMP22 4294/4885

“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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