SCHEMBL1984498

SCHEMBL1984498

CCOC(=O)c1ccnc(-c2cc(Br)c3[nH]ccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 8/20 0.51
NUDT1 P36639 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
PIK3CA P42336 1/20 0.39
SYK P43405 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1982810 0.84 JMJD6 (0.48) JMJD6NUDT1
SCHEMBL1646106 0.82 JMJD6 (0.55) JMJD6NUDT1
SCHEMBL15683164 0.80 CA12 (0.45) SIRT2CYP3A4
SCHEMBL16142064 0.76 JMJD6 (0.53) JMJD6PIK3CASYKNPC1RAB9A
SCHEMBL28332640 0.76 JMJD6 (0.61) JMJD6PIK3CA
SCHEMBL4770741 0.76 JMJD6 (0.55) JMJD6NPC1RAB9A
SCHEMBL1993315 0.75 JMJD6 (0.50) JMJD6SIRT2PIK3CANPC1RAB9A
SCHEMBL30171421 0.75 JMJD6 (0.76) JMJD6PIK3CA
SCHEMBL811785 0.75 JMJD6 (0.76) JMJD6PIK3CA
SCHEMBL3442381 0.75 JMJD6 (0.61) JMJD6SIRT2PIK3CANPC1RAB9A

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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 JMJD6 836/4885NUDT1 4/4885SIRT2 1460/4885

“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.