SCHEMBL5267019

SCHEMBL5267019

CCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
JMJD6 Q6NYC1 2/20 0.37
GAA P10253 1/20 0.37
FAAH O00519 2/20 0.37
MGLL Q99685 1/20 0.37
CHRNA7 P36544 2/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL5269059 0.90 CA9 (0.43) CA9MAPTKMT2ATDP1ALDH1A1
SCHEMBL4933068 0.88 CA9 (0.42) CA9MAPTKMT2ATP53JMJD6
SCHEMBL5265509 0.87 ALDH1A1 (0.41) KMT2AALDH1A1TSHR
SCHEMBL5525755 0.86 ALDH1A1 (0.37) KMT2ATDP1ALDH1A1TSHRRAB9A
SCHEMBL5525424 0.86 TDP1 (0.38) MAPTTDP1ALDH1A1TSHRFAAH
SCHEMBL2912092 0.86 CA9 (0.48) CA9MAPTKMT2ATDP1ALDH1A1
SCHEMBL5529681 0.84 MALT1 (0.38) KMT2AALDH1A1TSHRRAB9A
SCHEMBL4929151 0.84 KMT2A (0.42) CA9MAPTKMT2ATDP1ALDH1A1
SCHEMBL5528138 0.83 ALDH1A1 (0.35) ALDH1A1TSHRRAB9A
SCHEMBL4932988 0.81 ALDH1A1 (0.53) CA9MAPTKMT2ATDP1ALDH1A1

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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3231/4885MAPT 4006/4885KMT2A 3446/4885

“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.