SCHEMBL5266010

SCHEMBL5266010

CCOC(=O)c1cc(-c2cnc(C(=O)O)cn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.45
CHRNA7 P36544 2/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
BCL2 P10415 2/20 0.40
MDM2 Q00987 2/20 0.40
MCL1 Q07820 2/20 0.40
GAA P10253 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
RPA1 P27694 1/20 0.40
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL5266524 0.90 CA9 (0.44) CA9CHRNA7KMT2AMAPTTDP1
SCHEMBL5271418 0.86 CA9 (0.49) CA9CHRNA7POLBTP53BCL2
SCHEMBL2912092 0.86 CA9 (0.48) CA9CHRNA7KMT2AMAPTTDP1
SCHEMBL2914548 0.85 KMT2A (0.46) CA9CHRNA7KMT2AMAPTTDP1
SCHEMBL5526493 0.85 JMJD6 (0.51) CA9CHRNA7KMT2AMAPTTDP1
SCHEMBL2910909 0.84 JMJD6 (0.47) CA9CHRNA7KMT2AMAPTTDP1
SCHEMBL2918939 0.84 CA9 (0.63) CA9CHRNA7KMT2AMAPTTDP1
SCHEMBL5269334 0.83 RPA1 (0.46) KMT2ABCL2MDM2MCL1RPA1
SCHEMBL4926857 0.83 KMT2A (0.55) CA9KMT2AMAPTTDP1POLB
SCHEMBL2916960 0.83 CA9 (0.48) CA9CHRNA7KMT2AMAPTTDP1

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
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3231/4885CHRNA7 4207/4885KMT2A 3446/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3499/4885CHRNA7 4667/4885KMT2A 2339/4885

“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.