SCHEMBL930031

SCHEMBL930031

Cc1nnc2n1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
TACR3 P29371 11/20 0.41
TACR2 P21452 9/20 0.41
TACR1 P25103 8/20 0.41
KCNH2 Q12809 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL928485 0.89 GRM5 (0.44) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL929359 0.88 ALDH1A1 (0.53) GRM5ALDH1A1HPGDGAAMAPT
SCHEMBL928665 0.88 GRM5 (0.44) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL928617 0.88 TACR3 (0.44) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL928677 0.87 GRM5 (0.48) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL928278 0.85 GRM5 (0.42) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL928660 0.85 TACR3 (0.44) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL928780 0.85 P2RX7 (0.44) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL931448 0.85 TACR3 (0.51) GRM5TACR3TACR2TACR1KCNH2
SCHEMBL930170 0.85 P2RX7 (0.59) GRM5TACR3TACR2TACR1KCNH2

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 1/4885TACR3 486/4885TACR2 834/4885

“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.