SCHEMBL928607

SCHEMBL928607

O=C(c1cc2ncc(Br)cn2n1)N1CCn2c(nnc2-c2ccoc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.55
ALDH1A1 P00352 3/20 0.55
ESR1 P03372 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
GRM5 P41594 14/20 0.49
KMT2A Q03164 1/20 0.43

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
SCHEMBL928735 0.89 GRM5 (0.47) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL929909 0.86 ALDH1A1 (0.55) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL930862 0.86 ALDH1A1 (0.57) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL3811813 0.85 PARP1 (0.43) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL930063 0.85 ESR2 (0.64) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL929510 0.84 GRM5 (0.53) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL929058 0.84 GRM5 (0.54) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL929004 0.84 ESR2 (0.56) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL930963 0.84 ESR2 (0.55) ESR2ALDH1A1ESR1TDP1POLB
SCHEMBL929099 0.83 ALDH1A1 (0.60) ESR2ALDH1A1ESR1TDP1POLB

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 3474/4885ALDH1A1 2888/4885ESR1 3004/4885

“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.