SCHEMBL928653

SCHEMBL928653

CCCNC(=O)c1ccc2n1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.39
RECQL P46063 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APOBEC3A P31941 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR2 Q92731 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
NR4A1 P22736 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
ESR1 P03372 1/20 0.33
TACR3 P29371 2/20 0.33

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
SCHEMBL930030 0.93 GRM5 (0.40) GRM5RECQLALDH1A1HPGDLMNA
SCHEMBL929943 0.90 RECQL (0.48) GRM5RECQLALDH1A1HPGDKDM4E
SCHEMBL927981 0.89 GRM5 (0.42) GRM5ALDH1A1HPGDLMNAKDM4E
SCHEMBL928728 0.88 GRM5 (0.40) GRM5ALDH1A1HPGDLMNAKDM4E
SCHEMBL3819959 0.86 KDM4E (0.37) RECQLALDH1A1LMNAKDM4EPOLB
SCHEMBL928652 0.86 GRM5 (0.42) GRM5ALDH1A1HPGDLMNAKDM4E
SCHEMBL927955 0.83 TDP1 (0.46) GRM5RECQLALDH1A1HPGDKDM4E
SCHEMBL928663 0.83 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAKDM4E
SCHEMBL929996 0.82 ALDH1A1 (0.49) GRM5ALDH1A1HPGDLMNAKDM4E
SCHEMBL929538 0.81 GRM5 (0.44) GRM5RECQLALDH1A1HPGDKDM4E

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 GRM5 1/4885RECQL 2763/4885ALDH1A1 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.