SCHEMBL930010

SCHEMBL930010

CC1c2ncc(-c3ccc(F)nc3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.40
TACR3 P29371 7/20 0.40
ALDH1A1 P00352 4/20 0.36
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR2 P21452 3/20 0.33
TACR1 P25103 2/20 0.33
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL930864 0.90 ESR2 (0.47) GRM5TACR3ALDH1A1ESR2ESR1
SCHEMBL3818998 0.88 TACR3 (0.40) TACR3TACR2TACR1P2RX7KCNH2
SCHEMBL931448 0.88 TACR3 (0.51) GRM5TACR3TACR2TACR1P2RX7
SCHEMBL929503 0.85 GRM5 (0.42) GRM5TACR3ALDH1A1ESR2ESR1
SCHEMBL928699 0.84 GRM5 (0.41) GRM5TACR3ALDH1A1ESR2ESR1
SCHEMBL928677 0.82 GRM5 (0.48) GRM5TACR3ALDH1A1ESR2ESR1
SCHEMBL3818203 0.81 TACR3 (0.40) TACR3ALDH1A1ESR2ESR1POLB
SCHEMBL1011174 0.80 GRM5 (0.42) GRM5TACR3ALDH1A1ESR2ESR1
SCHEMBL927731 0.80 P2RX7 (0.49) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL1010062 0.79 GRM5 (0.41) GRM5ALDH1A1ESR2ESR1POLB

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 486/4885ALDH1A1 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.