SCHEMBL928754

SCHEMBL928754

CC1c2nnc(-c3ccco3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 12/20 0.47
TACR2 P21452 9/20 0.47
TACR1 P25103 6/20 0.47
GRM5 P41594 1/20 0.43
P2RX7 Q99572 5/20 0.42
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL928500 0.90 ESR2 (0.54) TACR3TACR2TACR1GRM5ALDH1A1
SCHEMBL3811224 0.86 TACR3 (0.51) TACR3TACR2TACR1P2RX7KCNH2
SCHEMBL928660 0.86 TACR3 (0.44) TACR3TACR2TACR1GRM5P2RX7
SCHEMBL928617 0.85 TACR3 (0.44) TACR3TACR2TACR1GRM5P2RX7
SCHEMBL930170 0.84 P2RX7 (0.59) TACR3TACR2TACR1GRM5P2RX7
SCHEMBL928780 0.84 P2RX7 (0.44) TACR3TACR2TACR1GRM5P2RX7
SCHEMBL931404 0.84 ALDH1A1 (0.44) TACR3GRM5ALDH1A1ESR1POLB
SCHEMBL929937 0.84 TACR3 (0.51) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL930031 0.84 GRM5 (0.47) TACR3TACR2TACR1GRM5P2RX7
SCHEMBL928665 0.84 GRM5 (0.44) TACR3TACR2TACR1GRM5P2RX7

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 TACR3 486/4885TACR2 834/4885TACR1 464/4885

“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.