SCHEMBL929608

SCHEMBL929608

CN1c2c(cccc2C(F)(F)F)CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.44
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 3/20 0.38
ESR1 P03372 2/20 0.38
POLB P06746 2/20 0.38
ESR2 Q92731 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
RBP4 P02753 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL928802 0.89 GRM5 (0.54) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL929497 0.88 GRM5 (0.46) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL927271 0.88 GRM5 (0.47) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL928186 0.87 GRM5 (0.48) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL927999 0.87 GRM5 (0.48) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL3813655 0.86 TP53 (0.36) ALDH1A1HPGDMEN1KMT2ARBP4
SCHEMBL929155 0.85 GRM5 (0.44) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL930967 0.84 GRM5 (0.46) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL930162 0.84 GRM5 (0.44) GRM5ALDH1A1HPGDKDM4EGAA
SCHEMBL930202 0.83 GRM5 (0.43) GRM5ALDH1A1KDM4ETDP1ESR1

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 1/4885ALDH1A1 2888/4885HPGD 720/4885

“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.