SCHEMBL1013466

SCHEMBL1013466

CC1c2ccc(-c3nn[nH]n3)cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.41
AKR1C3 P42330 2/20 0.38
AKR1C4 P17516 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
QRFPR Q96P65 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KLKB1 P03952 1/20 0.35
DPP4 P27487 1/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL1010340 0.94 GRM5 (0.41) GRM5AKR1C3AKR1C4MEN1KMT2A
SCHEMBL1009929 0.90 GRM5 (0.46) GRM5AKR1C3AKR1C4KMT2AALDH1A1
SCHEMBL3813017 0.87 AKR1C3 (0.39) AKR1C3AKR1C4MEN1KMT2AKLKB1
SCHEMBL1010937 0.85 GRM5 (0.40) GRM5AKR1C3ALDH1A1LMNAHPGD
SCHEMBL1010546 0.85 GRM5 (0.46) GRM5KMT2AALDH1A1HPGD
SCHEMBL1013048 0.85 GRM5 (0.43) GRM5MEN1KMT2AQRFPRALDH1A1
SCHEMBL1011341 0.85 GRM5 (0.40) GRM5ALDH1A1LMNAHPGDKLKB1
SCHEMBL1010322 0.84 GRM5 (0.43) GRM5MEN1KMT2AQRFPRALDH1A1
SCHEMBL1011392 0.83 GRM5 (0.42) GRM5MEN1KMT2AQRFPRALDH1A1
SCHEMBL1011348 0.83 GRM5 (0.42) GRM5MEN1KMT2AQRFPRALDH1A1

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 1/4885AKR1C3 1634/4885AKR1C4 1895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885AKR1C3 1891/4885AKR1C4 1958/4885

“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.