SCHEMBL1487589

SCHEMBL1487589

CC1c2cc([N+](=O)[O-])ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GRM5 P41594 9/20 0.44
ALKBH5 Q6P6C2 3/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
FTO Q9C0B1 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1011225 0.94 HTT (0.46) HTTNCOA1SMN1; SMN2NCOA3GRM5
SCHEMBL1010594 0.90 GRM5 (0.49) HTTNCOA1SMN1; SMN2NCOA3GRM5
SCHEMBL1010133 0.88 GRM5 (0.48) GRM5ALDH1A1LMNAHPGDMEN1
SCHEMBL1010001 0.86 GRM5 (0.49) HTTGRM5ALDH1A1LMNAHPGD
SCHEMBL3816076 0.85 HTT (0.46) HTTNCOA1SMN1; SMN2NCOA3ALDH1A1
SCHEMBL1009049 0.85 GRM5 (0.51) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL1010117 0.85 GRM5 (0.46) GRM5ALDH1A1LMNAHPGDMEN1
SCHEMBL1010932 0.84 GRM5 (0.44) GRM5ALDH1A1LMNAHPGDMEN1
SCHEMBL4080116 0.84 GRM5 (0.46) GRM5ALDH1A1LMNAHPGDMEN1
SCHEMBL1010613 0.84 GRM5 (0.43) HTTNCOA1SMN1; SMN2NCOA3GRM5

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
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-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 HTT 1894/4885NCOA1 1159/4885SMN1; SMN2 897/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 HTT 1911/4885NCOA1 1125/4885SMN1; SMN2 1113/4885

“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.