SCHEMBL929155

SCHEMBL929155

CN1c2cccc(C(F)(F)F)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 3/20 0.38
ESR1 P03372 2/20 0.38
POLB P06746 2/20 0.38
ESR2 Q92731 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 3/20 0.35
MAPT P10636 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL931463 0.89 GRM5 (0.51) GRM5NOTUMALDH1A1KDM4EHPGD
SCHEMBL928380 0.88 GRM5 (0.46) GRM5NOTUMALDH1A1KDM4EHPGD
SCHEMBL927893 0.88 GRM5 (0.47) GRM5NOTUMALDH1A1KDM4EHPGD
SCHEMBL928923 0.87 GRM5 (0.48) GRM5NOTUMALDH1A1KDM4EHPGD
SCHEMBL928108 0.87 GRM5 (0.46) GRM5ALDH1A1KDM4EHPGDGAA
SCHEMBL3815438 0.86 NOTUM (0.43) NOTUMALDH1A1HPGDMEN1KMT2A
SCHEMBL929608 0.85 GRM5 (0.44) GRM5ALDH1A1KDM4EHPGDGAA
SCHEMBL930135 0.84 GRM5 (0.46) GRM5NOTUMALDH1A1KDM4EHPGD
SCHEMBL927928 0.84 GRM5 (0.43) GRM5ALDH1A1KDM4EHPGDGAA
SCHEMBL929370 0.84 GRM5 (0.44) GRM5ALDH1A1KDM4EHPGDGAA

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 1/4885NOTUM 2035/4885ALDH1A1 2888/4885

“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.