SCHEMBL5521086

SCHEMBL5521086

CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA9 Q16790 3/20 0.53
CHRNA7 P36544 2/20 0.51
FAAH O00519 3/20 0.50
MARS1 P56192 2/20 0.49
SMPD1 P17405 1/20 0.48
GAA P10253 1/20 0.47
BCL2 P10415 1/20 0.47
MDM2 Q00987 1/20 0.47
MCL1 Q07820 1/20 0.47
USP8 P40818 1/20 0.47
MAPT P10636 2/20 0.45
RPA1 P27694 1/20 0.45

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
SCHEMBL5524647 0.87 KMT2A (0.52) KMT2AMEN1ALDH1A1CA9CHRNA7
SCHEMBL18353210 0.87 KMT2A (0.52) KMT2AMEN1ALDH1A1CA9CHRNA7
SCHEMBL16876833 0.83 KMT2A (0.49) KMT2AMEN1ALDH1A1CA9CHRNA7
SCHEMBL4923391 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1CA9CHRNA7
SCHEMBL4930153 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1CA9CHRNA7
SCHEMBL27668785 0.83 MARS1 (0.67) KMT2AMEN1MARS1SMPD1BCL2
SCHEMBL22637367 0.82 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL4927203 0.81 KMT2A (0.55) KMT2AMEN1ALDH1A1CA9CHRNA7
SCHEMBL5517585 0.81 KMT2A (0.58) KMT2AMEN1ALDH1A1CA9GAA
SCHEMBL4927987 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1CA9FAAH

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 KMT2A 2339/4885MEN1 2899/4885ALDH1A1 171/4885

“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.