SCHEMBL3464626

SCHEMBL3464626

CC[C](CC(N)=O)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.36
RAF1 P04049 14/20 0.35
BRAF P15056 14/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
KLKB1 P03952 1/20 0.32
MAP4K1 Q92918 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
SCHEMBL27827233 0.87 KDM4D (0.35) KDM4DRAF1BRAFCYP1A2POLB
SCHEMBL3129450 0.84 KDM4D (0.38) KDM4DRAF1BRAFCYP1A2POLB
SCHEMBL3131761 0.84 KDM4D (0.38) KDM4DRAF1BRAFCYP1A2POLB
SCHEMBL567389 0.79 ATM (0.38) KDM4DRAF1BRAFKDM4E
SCHEMBL27845882 0.79 KDM4D (0.35) KDM4DRAF1BRAFCYP1A2POLB
SCHEMBL3124166 0.79 KDM4B (0.43) KDM4DRAF1BRAF
SCHEMBL3120987 0.78 AR (0.43) KDM4DCYP1A2POLBKDM4ELMNA
SCHEMBL3126279 0.75 PIK3C3 (0.36) KDM4DRAF1BRAFKDM4EPIK3C3
SCHEMBL11197523 0.74 KDM4C (0.53) KDM4DKDM4E
SCHEMBL568566 0.74 MEN1 (0.42) KDM4DRAF1BRAFKDM4EPIK3C3

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-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4D 1743/4885RAF1 2726/4885BRAF 3808/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 KDM4D 4175/4885RAF1 912/4885BRAF 1814/4885

“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.