SCHEMBL5529650

SCHEMBL5529650

COc1ccc(-n2nc(C(N)=O)cc2-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
MALT1 Q9UDY8 1/20 0.46
CA9 Q16790 1/20 0.46
MDM2 Q00987 3/20 0.46
MCL1 Q07820 3/20 0.46
BCL2 P10415 2/20 0.46
FAAH O00519 2/20 0.45
NNMT P40261 1/20 0.44

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
SCHEMBL2910437 0.91 RPA1 (0.70) RPA1MEN1KMT2AALDH1A1MDM2
SCHEMBL14504991 0.85 MDM2 (0.46) RPA1MALT1CA9MDM2MCL1
SCHEMBL14574200 0.85 GRM2 (0.44) RPA1MALT1MDM2MCL1BCL2
SCHEMBL2918939 0.84 CA9 (0.63) RPA1MEN1KMT2ACA9MDM2
SCHEMBL2916368 0.83 MALT1 (0.55) RPA1MEN1KMT2AALDH1A1MALT1
SCHEMBL2915792 0.83 MGLL (0.53) RPA1MALT1
SCHEMBL2921226 0.82 RPA1 (0.50) RPA1MEN1KMT2AMALT1
SCHEMBL2917284 0.82 MGLL (0.63) RPA1ALDH1A1HPGDMALT1
SCHEMBL14505008 0.82 MDM2 (0.43) RPA1MALT1MDM2MCL1BCL2
SCHEMBL14504995 0.82 GRM2 (0.40) RPA1MALT1CA9MDM2MCL1

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-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.