SCHEMBL3786971

SCHEMBL3786971

CC(C)(C)OC(=O)Nc1ccc(N)c(-c2ccccc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
MAP4K4 O95819 1/20 0.44
LCK P06239 1/20 0.42
CTSL P07711 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CTSS P25774 1/20 0.42
PTPN13 Q12923 1/20 0.42
NAMPT P43490 1/20 0.41
USP28 Q96RU2 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC10 Q969S8 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3792875 0.92 CA12 (0.44) CA12CA1CA9MAP4K4LCK
SCHEMBL3784607 0.88 MAP4K4 (0.46) CA12CA1CA9MAP4K4NAMPT
SCHEMBL3790541 0.84 CYP17A1 (0.50) MAP4K4NAMPTHDAC3HDAC1HDAC2
SCHEMBL3785736 0.84 BRD4 (0.53) MAP4K4HDAC3HDAC1HDAC2HDAC6
SCHEMBL3785170 0.82 MAP4K4 (0.48) CA12CA1CA9MAP4K4NAMPT
SCHEMBL13624134 0.82 CA12 (0.50) CA12CA1CA9MAP4K4NAMPT
SCHEMBL3791260 0.82 BRD4 (0.44) CA12CA1CA9MAP4K4NAMPT
SCHEMBL3783723 0.81 BRD9 (0.47) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL3790360 0.80 HDAC3 (0.41) CA12CA1CA9MAP4K4NAMPT
SCHEMBL3787700 0.80 ATR (0.39) CA12CA1LCKHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CA12 1438/4885CA1 3273/4885CA9 816/4885

“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.