SCHEMBL4789673

SCHEMBL4789673

O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CCR2 P41597 1/20 0.40
TRPV1 Q8NER1 4/20 0.39

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
SCHEMBL4789626 0.91 GRM5 (0.52) GRM5TRPV1
SCHEMBL4790153 0.90 TDP1 (0.55) GRM5MEN1KMT2AKDM4EHPGD
SCHEMBL5110265 0.89 GRM5 (0.53) GRM5MEN1KMT2AKDM4EHPGD
SCHEMBL4788743 0.88 GRM5 (0.51) GRM5KDM4EHPGDTDP1ALDH1A1
SCHEMBL8217851 0.88 GRM5 (0.56) GRM5MEN1KMT2AKDM4EHPGD
SCHEMBL4756523 0.87 GRM5 (0.56) GRM5TDP1ALDH1A1SMN1; SMN2ESR1
SCHEMBL4788155 0.86 GRM5 (0.51) GRM5HPGDTDP1ALDH1A1SMN1; SMN2
SCHEMBL5122361 0.85 GRM5 (0.57) GRM5KDM4EHPGDTDP1ALDH1A1
SCHEMBL4788637 0.84 GRM5 (0.54) GRM5KDM4EHPGDTDP1ALDH1A1
SCHEMBL4788277 0.84 GRM5 (0.52) GRM5TDP1ALDH1A1SMN1; SMN2

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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US claimed
US-20080221329-A1 Novel and economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2008-09-11 US 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
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 (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-20080221329-A1 Novel and economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer SULT1E1, CYP4X1, SULT1A1 GRM5 4120/4885MEN1 1856/4885KMT2A 3022/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 GRM5 1/4885MEN1 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.