SCHEMBL5015487

SCHEMBL5015487

ClCCn1ccc(-c2ccncc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
MAPT P10636 4/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 2/20 0.34
KEAP1 Q14145 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL27332971 0.82 MAPT (0.42) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL5017265 0.82 DYRK1A (0.41) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL4128219 0.82 DYRK1A (0.41) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL5017267 0.82 DYRK1A (0.41) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL5017240 0.80 CYP2A6 (0.43) MAPTALDH1A1FYNCYP11B1CYP11B2
SCHEMBL27325656 0.79 MAPT (0.40) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL14405050 0.78 DYRK1A (0.43) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL27499559 0.78 DYRK1A (0.43) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL9888026 0.74 DYRK1A (0.40) DYRK1AMAPTPIK3CDPIK3CBPIK3CG
SCHEMBL14384096 0.74 LMNA (0.41) DYRK1AMAPTPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 WO 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 DYRK1A 4499/4885MAPT 4858/4885PIK3CD 4321/4885

“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.