SCHEMBL929435

SCHEMBL929435

CC1c2ccc(-c3cccnc3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.40
DYRK3 O43781 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HCRTR1 O43613 1/20 0.33
TACR3 P29371 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 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
SCHEMBL929495 0.91 GRM5 (0.41) GRM5ALDH1A1HPGDLMNATDP1
SCHEMBL928700 0.91 GRM5 (0.41) GRM5ALDH1A1HPGDLMNATDP1
SCHEMBL930570 0.90 GRM5 (0.47) GRM5ALDH1A1HPGDTDP1GAA
SCHEMBL3816945 0.87 GRM5 (0.34) GRM5ALDH1A1GAAMAPTHCRTR1
SCHEMBL927706 0.85 P2RX7 (0.42) GRM5ALDH1A1HPGDLMNATDP1
SCHEMBL930814 0.85 GRM5 (0.42) GRM5ALDH1A1HPGDLMNATDP1
SCHEMBL928685 0.85 GRM5 (0.40) GRM5ALDH1A1HPGDLMNATDP1
SCHEMBL927979 0.85 GRM5 (0.40) GRM5ALDH1A1HPGDLMNATDP1
SCHEMBL928780 0.85 P2RX7 (0.44) GRM5TACR3
SCHEMBL928663 0.84 GRM5 (0.46) GRM5ALDH1A1HPGDLMNATDP1

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 1/4885DYRK3 1720/4885CCNA2 3659/4885

“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.