SCHEMBL5522344

SCHEMBL5522344

COc1ccc(-n2nc(C(=O)O)cc2-c2cccc(N(C)C)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 9/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MDM2 Q00987 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2 P10415 2/20 0.43
OXTR P30559 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PPP1CA P62136 2/20 0.42
NSD2 O96028 1/20 0.42
NSD1 Q96L73 1/20 0.42
NSD3 Q9BZ95 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
HPSE Q9Y251 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL5524665 0.89 RPA1 (0.54) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL5522388 0.88 CA9 (0.49) RPA1
SCHEMBL2910437 0.87 RPA1 (0.70) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL5524898 0.87 SLC16A3 (0.40) RPA1OXTR
SCHEMBL2919104 0.86 RPA1 (0.63) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL2915937 0.86 RPA1 (0.63) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL2910507 0.85 KMT2A (0.56) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL2919001 0.81 SMN1; SMN2 (0.63) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL2911521 0.81 RPA1 (0.70) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL5269886 0.81 RPA1 (0.54) RPA1MEN1KMT2AMDM2MCL1

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US 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 (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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885MEN1 2899/4885KMT2A 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.