SCHEMBL930056

SCHEMBL930056

O=C(c1cc2ncc(Br)cn2n1)N1CCn2cc(-c3ccc(F)nc3)nc2C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ESR2 Q92731 3/20 0.56
ESR1 P03372 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
GRM5 P41594 14/20 0.49
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL928116 0.89 GRM5 (0.47) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL3821362 0.88 ALDH1A1 (0.41) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL929941 0.84 ALDH1A1 (0.56) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL929004 0.84 ESR2 (0.56) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL930490 0.83 ALDH1A1 (0.54) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL928786 0.81 GRM5 (0.61) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL3820174 0.80 P2RX7 (0.42) ALDH1A1ESR2ESR1POLBHPGD
SCHEMBL929385 0.80 ESR2 (0.47) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL929431 0.77 ALDH1A1 (0.63) ALDH1A1ESR2ESR1POLBTDP1
SCHEMBL927963 0.76 ALDH1A1 (0.61) ALDH1A1ESR2ESR1POLBTDP1

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 5 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

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.