SCHEMBL1010613

SCHEMBL1010613

CC1c2cccc([N+](=O)[O-])c2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
ALKBH5 Q6P6C2 3/20 0.40
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 2/20 0.35
POLB P06746 2/20 0.35
ESR2 Q92731 2/20 0.35
FTO Q9C0B1 1/20 0.35
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL1009233 0.90 GRM5 (0.48) GRM5ALDH1A1HPGDESR1POLB
SCHEMBL1011505 0.89 GRM5 (0.43) GRM5ALKBH5ALDH1A1HPGDLMNA
SCHEMBL1009118 0.87 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR1
SCHEMBL1009918 0.87 GRM5 (0.42) GRM5ALKBH5HTTNCOA1SMN1; SMN2
SCHEMBL1010766 0.86 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR1
SCHEMBL1010423 0.86 GRM5 (0.48) GRM5ALDH1A1HPGDLMNAESR1
SCHEMBL3814955 0.86 HTT (0.39) ALKBH5HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL1010289 0.85 GRM5 (0.45) GRM5ALDH1A1HPGDLMNAESR1
SCHEMBL1011225 0.85 HTT (0.46) GRM5ALKBH5HTTNCOA1SMN1; SMN2
SCHEMBL4081280 0.85 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAESR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO 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 (2 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 GRM5 1/4885ALKBH5 2300/4885HTT 1894/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885ALKBH5 2163/4885HTT 1911/4885

“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.