SCHEMBL928908

SCHEMBL928908

CN1c2cc(C(F)(F)F)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.44
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL929523 0.93 GRM5 (0.44) GRM5HPGDTDP1KDM4EMEN1
SCHEMBL929616 0.89 GRM5 (0.51) GRM5HPGDTDP1KDM4EMEN1
SCHEMBL927711 0.88 GRM5 (0.48) GRM5HPGDTDP1KDM4EALDH1A1
SCHEMBL928523 0.88 GRM5 (0.46) GRM5HPGDTDP1KDM4EHTR2A
SCHEMBL930006 0.87 GRM5 (0.49) GRM5HPGDTDP1KDM4EALDH1A1
SCHEMBL3817696 0.86 CNR2 (0.38) GRM5HPGDMEN1KMT2ACNR2
SCHEMBL928518 0.86 GRM5 (0.51) GRM5HPGDTDP1ALDH1A1GAA
SCHEMBL930149 0.84 GRM5 (0.48) GRM5HPGDTDP1KDM4EALDH1A1
SCHEMBL930822 0.84 GRM5 (0.47) GRM5HPGDTDP1KDM4EALDH1A1
SCHEMBL928400 0.83 GRM5 (0.44) GRM5HPGDTDP1KDM4EALDH1A1

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 5 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

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 1/4885HPGD 720/4885TDP1 1875/4885

“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.