SCHEMBL929935

SCHEMBL929935

CN1c2ccc(-c3ccnc(F)c3)cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.42
CYP11B2 P19099 2/20 0.35
ALDH1A1 P00352 6/20 0.35
ESR1 P03372 2/20 0.35
POLB P06746 2/20 0.35
ESR2 Q92731 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL929482 0.93 GRM5 (0.42) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL928822 0.90 GRM5 (0.44) GRM5CYP11B2ALDH1A1TDP1CYP11B1
SCHEMBL929570 0.90 GRM5 (0.49) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3815795 0.88 CYP11B2 (0.34) CYP11B2ALDH1A1CYP11B1MAPTHPGD
SCHEMBL929417 0.86 GRM5 (0.46) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL930122 0.85 GRM5 (0.48) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL928646 0.84 GRM5 (0.41) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL928849 0.84 GRM5 (0.41) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL930066 0.84 GRM5 (0.49) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL929245 0.83 GRM5 (0.44) GRM5ALDH1A1ESR1POLBESR2

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 1/4885CYP11B2 716/4885ALDH1A1 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.