SCHEMBL1011101

SCHEMBL1011101

CC1c2cccc(-c3cnn(C)c3)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.42
CYP3A4 P08684 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA1B Q00975 1/20 0.42
GRM5 P41594 6/20 0.42
KLKB1 P03952 3/20 0.35
P2RX7 Q99572 1/20 0.35
FGFR1 P11362 2/20 0.35
FGFR3 P22607 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NTRK1 P04629 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 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
SCHEMBL1010917 0.90 GRM5 (0.49) GRM5ALDH1A1HPGD
SCHEMBL1009121 0.89 GRM5 (0.42) DRD1GRM5KLKB1ALDH1A1LMNA
SCHEMBL1010062 0.87 GRM5 (0.41) GRM5KLKB1ALDH1A1
SCHEMBL1068262 0.87 GRM5 (0.41) DRD1CYP3A4HTR2BCACNA1BGRM5
SCHEMBL3820638 0.87 DRD1 (0.43) DRD1CYP3A4HTR2BCACNA1BKLKB1
SCHEMBL1011156 0.87 GRM5 (0.41) GRM5KLKB1ALDH1A1LMNAHPGD
SCHEMBL1010093 0.87 DRD1 (0.43) DRD1GRM5KLKB1
SCHEMBL1010182 0.86 GRM5 (0.42) GRM5KLKB1
SCHEMBL1009118 0.86 GRM5 (0.46) DRD1GRM5P2RX7ALDH1A1LMNA
SCHEMBL1010423 0.85 GRM5 (0.48) GRM5ALDH1A1LMNAHPGD

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 DRD1 85/4885CYP3A4 749/4885HTR2B 106/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 DRD1 149/4885CYP3A4 589/4885HTR2B 135/4885

“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.