SCHEMBL5029528

SCHEMBL5029528

Clc1ccc2nc(CCCc3ccccc3)nc(Cl)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL14189286 0.86 PIK3CD (0.47) PIK3CDPIK3R1TUBB4ATUBBTUBA3C
SCHEMBL5029581 0.86 PIK3CD (0.47) PIK3CDPIK3R1TUBB4ATUBBTUBA3C
SCHEMBL3975481 0.81 L3MBTL1 (0.46) ADORA1ADORA2AADORA2BMAPTL3MBTL1
SCHEMBL3668583 0.81 KDM4E (0.48) KDM4EMAPK1ALDH1A1MAPTPDE10A
SCHEMBL4413557 0.78 KDM4E (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9266044 0.76 KDM4E (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28224409 0.74 L3MBTL1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16404343 0.70 MAOA (0.50) KDM4EMAPK1ALDH1A1MAPTL3MBTL1
SCHEMBL10812127 0.69 HTR2A (0.60) ALDH1A1MAPTTP53MAOB
SCHEMBL7835433 0.69 PDE4A (0.49) KDM4EALDH1A1MAPTL3MBTL1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 PIK3CD 4286/4885PIK3R1 2394/4885TUBB4A 2971/4885

“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.