SCHEMBL4789891

SCHEMBL4789891

CC1CC(c2cccnc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KLK7 P49862 2/20 0.33
F2 P00734 1/20 0.33
F12 P00748 1/20 0.33
MAPT P10636 1/20 0.33
KLK5 Q9Y337 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCD O00767 1/20 0.33
BRAF P15056 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
SCHEMBL4756503 0.91 GRM5 (0.44) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4758742 0.90 GRM5 (0.43) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4790271 0.89 NPC1 (0.41) GRM5ALDH1A1LMNAHPGD
SCHEMBL4790040 0.89 GRM5 (0.42) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4755882 0.88 GRM5 (0.42) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4790072 0.88 GRM5 (0.44) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4758582 0.87 GRM5 (0.46) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL5119971 0.87 GRM5 (0.39) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4790148 0.87 ALDH1A1 (0.42) GRM5ALDH1A1LMNAHPGDMAPT
SCHEMBL4789879 0.85 GRM5 (0.43) GRM5ALDH1A1LMNAHPGDMAPT

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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US claimed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US 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 (1 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 GRM5 1/4885ALDH1A1 2588/4885LMNA 4691/4885

“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.