SCHEMBL4790002

SCHEMBL4790002

CC1CC(c2cccc(C(F)(F)F)c2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DYRK1A Q13627 4/20 0.38
DYRK2 Q92630 4/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
GRM5 P41594 4/20 0.38
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
EIF4A3 P38919 2/20 0.36
DYRK3 O43781 2/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 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
SCHEMBL4790468 0.97 HPGD (0.41) HPGDMEN1KMT2AKDM4ETDP1
SCHEMBL4790167 0.90 TDP1 (0.53) HPGDMEN1KMT2AKDM4ETDP1
SCHEMBL4790148 0.89 ALDH1A1 (0.42) HPGDKDM4ETDP1GRM5P2RX7
SCHEMBL4755882 0.89 GRM5 (0.42) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4756503 0.88 GRM5 (0.44) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL5119971 0.87 GRM5 (0.39) HPGDMEN1KMT2AKDM4ETDP1
SCHEMBL4790072 0.85 GRM5 (0.44) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4789891 0.84 GRM5 (0.40) HPGDGRM5ALDH1A1LMNA
SCHEMBL4789879 0.84 GRM5 (0.43) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4790170 0.84 ALKBH5 (0.40) HPGDGRM5ALDH1A1LMNAMAPK1

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 HPGD 1132/4885MEN1 3655/4885KMT2A 2397/4885

“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.