SCHEMBL1011225

SCHEMBL1011225

CC1c2ccc([N+](=O)[O-])cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GRM5 P41594 9/20 0.43
ALKBH5 Q6P6C2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
QRFPR Q96P65 1/20 0.38
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL1487589 0.94 HTT (0.44) HTTNCOA1SMN1; SMN2NCOA3GRM5
SCHEMBL1010759 0.89 GRM5 (0.49) HTTNCOA1SMN1; SMN2NCOA3GRM5
SCHEMBL3813174 0.85 HTT (0.47) HTTNCOA1SMN1; SMN2NCOA3LMNA
SCHEMBL1010347 0.85 GRM5 (0.46) GRM5ALDH1A1LMNAHPGDQRFPR
SCHEMBL1010613 0.85 GRM5 (0.43) HTTNCOA1SMN1; SMN2NCOA3GRM5
SCHEMBL15020037 0.85 GRM5 (0.48) GRM5ALDH1A1LMNAHPGD
SCHEMBL1010650 0.85 GRM5 (0.48) GRM5ALDH1A1LMNAHPGD
SCHEMBL1011624 0.85 GRM5 (0.48) GRM5ALDH1A1LMNAHPGD
SCHEMBL1010496 0.85 GRM5 (0.44) GRM5ALDH1A1LMNAHPGDQRFPR
SCHEMBL4085098 0.84 GRM5 (0.45) GRM5ALDH1A1LMNAHPGDQRFPR

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 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.