SCHEMBL928735

SCHEMBL928735

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
PARP1 P09874 1/20 0.43
P2RX7 Q99572 11/20 0.42
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR3 P29371 2/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL928607 0.89 ESR2 (0.55) GRM5ESR2ALDH1A1ESR1POLB
SCHEMBL928669 0.86 P2RX7 (0.49) GRM5P2RX7TACR3
SCHEMBL927851 0.86 GRM5 (0.51) GRM5P2RX7ALDH1A1TDP1TACR3
SCHEMBL3815490 0.85 P2RX7 (0.45) PARP1P2RX7TACR3
SCHEMBL929911 0.85 P2RX7 (0.54) GRM5PARP1P2RX7ESR2ALDH1A1
SCHEMBL929918 0.84 P2RX7 (0.49) GRM5P2RX7ESR2ALDH1A1ESR1
SCHEMBL929961 0.84 GRM5 (0.49) GRM5P2RX7TACR3
SCHEMBL930089 0.84 P2RX7 (0.54) GRM5P2RX7TACR3
SCHEMBL930778 0.84 GRM5 (0.45) GRM5P2RX7ESR2ALDH1A1ESR1
SCHEMBL928854 0.83 GRM5 (0.56) GRM5P2RX7ESR2ALDH1A1ESR1

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 GRM5 1/4885PARP1 3775/4885P2RX7 71/4885

“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.