SCHEMBL928699

SCHEMBL928699

CC1c2ncc(-c3cccnc3F)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.41
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
TACR3 P29371 4/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 6/20 0.34
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 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
SCHEMBL928177 0.91 GRM5 (0.47) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL930520 0.89 TACR3 (0.45) GRM5TACR3P2RX7TACR2TACR1
SCHEMBL3817339 0.88 TACR3 (0.35) ALDH1A1TACR3P2RX7TACR2TACR1
SCHEMBL929133 0.85 GRM5 (0.40) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL930010 0.84 GRM5 (0.40) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3814170 0.83 TACR3 (0.35) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL1009690 0.82 GRM5 (0.43) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL928677 0.81 GRM5 (0.48) GRM5ALDH1A1ESR1ESR2TACR3
SCHEMBL1011013 0.81 GRM5 (0.42) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL928281 0.80 GRM5 (0.49) 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 1/4885ALDH1A1 2888/4885ESR1 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.