SCHEMBL9068575

SCHEMBL9068575

COC(=O)c1ccc(Cn2ncc3ccccc32)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
XDH P47989 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KMO O15229 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
BUB1 O43683 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL8999798 0.87 CYSLTR2 (0.48) RECQLKMONPC1RAB9ABUB1
SCHEMBL3724300 0.82 RECQL (0.60) RECQLKMORAB9AMEN1KMT2A
SCHEMBL23712199 0.78 XDH (0.44) CA12CA1CA2CA7XDH
SCHEMBL30614183 0.77 RECQL (0.54) RECQLRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15687040 0.77 RECQL (0.54) RECQLRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8999820 0.77 AGTR1 (0.55) RECQLCA12CA1CA2CA7
SCHEMBL30614166 0.77 NPBWR1 (0.47) RECQLRAB9AMEN1KMT2APOLB
SCHEMBL25412149 0.77 NPBWR1 (0.47) RECQLRAB9AMEN1KMT2APOLB
SCHEMBL15056899 0.76 KMO (0.46) CA12CA1CA2CA7XDH
SCHEMBL15076275 0.76 KMO (0.47) CA12CA1CA2CA7XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334296-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-12-18 US disclosed
US-8188276-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. 2009-07-02 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-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A RECQL 1815/4885CA12 4826/4885CA1 4658/4885

“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.