SCHEMBL929411

SCHEMBL929411

CCOC(=O)c1nnc2n1CCN(C(=O)c1cc3ncc(Br)cn3n1)C2C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.52
ESR1 P03372 3/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
GRM5 P41594 11/20 0.43
RECQL P46063 1/20 0.41
POLB P06746 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NR4A1 P22736 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL928278 0.90 GRM5 (0.42) ESR2ESR1KMT2AALDH1A1HPGD
SCHEMBL3429230 0.87 ALDH1A1 (0.51) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL929359 0.85 ALDH1A1 (0.53) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL3819604 0.85 TACR3 (0.36) ESR2ESR1KMT2AMAPT
SCHEMBL3428330 0.85 ESR2 (0.44) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL931328 0.84 ALDH1A1 (0.54) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL929392 0.83 ESR2 (0.53) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL928807 0.81 ALDH1A1 (0.48) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL930132 0.81 ALDH1A1 (0.48) ESR2ESR1KMT2AALDH1A1TDP1
SCHEMBL930025 0.81 ESR2 (0.56) ESR2ESR1KMT2AALDH1A1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP claimed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 ESR2 3474/4885ESR1 3004/4885KMT2A 2876/4885

“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.