SCHEMBL3148674

SCHEMBL3148674

O=Cc1ccnc2[nH]c(C3CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ PBK Q96KB5 11/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PDK2 Q15119 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL3948904 0.77 PDK2 (0.37) PBKALDH1A1POLBMAPTHPGD
SCHEMBL1917392 0.76 ADORA3 (0.39) PBKALDH1A1POLBMAPTHPGD
SCHEMBL1917418 0.76 BRD4 (0.44) CCR1CCR5CCR8PBKALDH1A1
SCHEMBL12963909 0.76 ADORA1 (0.38) PBKALDH1A1POLBMAPTHPGD
SCHEMBL3949234 0.75 TSPO (0.38) PBKALDH1A1POLBMAPTHPGD
SCHEMBL4149204 0.75 KDM5B (0.48) PBKPARP1
SCHEMBL3949386 0.74 BRD4 (0.40) PDK2PDK4BRD4ADORA3ADORA2A
SCHEMBL3952234 0.74 ADORA3 (0.36) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL3952077 0.74 MAPT (0.38) PBKALDH1A1POLBMAPTHPGD
SCHEMBL30633389 0.74 ADORA3 (0.39) ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 — — EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 — — EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 — — US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 — — 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CCR1 1678/4885CCR5 1293/4885CCR8 1342/4885

“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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