SCHEMBL928023

SCHEMBL928023

O=C(c1cc2ncc(Br)cn2n1)N1CCn2c(nnc2-c2cccnc2F)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ESR2 Q92731 3/20 0.54
ESR1 P03372 2/20 0.54
POLB P06746 2/20 0.54
GRM5 P41594 12/20 0.53
TDP1 Q9NUW8 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
P2RX7 Q99572 2/20 0.46
TACR3 P29371 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL930232 0.90 P2RX7 (0.49) GRM5P2RX7TACR3
SCHEMBL3820303 0.87 P2RX7 (0.46) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL930486 0.87 ALDH1A1 (0.54) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL929999 0.85 TACR3 (0.60) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL929510 0.85 GRM5 (0.53) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL929909 0.84 ALDH1A1 (0.55) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL929004 0.83 ESR2 (0.56) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL930490 0.83 ALDH1A1 (0.54) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL930862 0.82 ALDH1A1 (0.57) ALDH1A1ESR2ESR1POLBGRM5
SCHEMBL930063 0.81 ESR2 (0.64) ALDH1A1ESR2ESR1POLBGRM5

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 ALDH1A1 2888/4885ESR2 3474/4885ESR1 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.