SCHEMBL929943

SCHEMBL929943

CCCNC(=O)c1ccc2n1CCN(C(=O)c1cc3ncc(Br)cn3n1)C2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
POLB P06746 7/20 0.47
KDM4E B2RXH2 4/20 0.47
RAB9A P51151 3/20 0.47
APOBEC3A P31941 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
ESR2 Q92731 6/20 0.44
NR4A1 P22736 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ESR1 P03372 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL927955 0.93 TDP1 (0.46) RECQLPOLBKDM4ERAB9AAPOBEC3A
SCHEMBL928653 0.90 GRM5 (0.39) RECQLPOLBKDM4ERAB9AAPOBEC3A
SCHEMBL929840 0.89 TDP1 (0.48) RECQLPOLBKDM4ERAB9AHSD17B10
SCHEMBL929446 0.88 TDP1 (0.46) RECQLPOLBKDM4ERAB9AAPOBEC3A
SCHEMBL929942 0.86 TDP1 (0.48) RECQLPOLBKDM4ERAB9AHSD17B10
SCHEMBL3820007 0.86 POLB (0.35) RECQLPOLBKDM4ERAB9AAPOBEC3A
SCHEMBL930030 0.83 GRM5 (0.40) RECQLPOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL929127 0.83 ALDH1A1 (0.54) POLBTDP1ALDH1A1MAPTGAA
SCHEMBL928294 0.82 ALDH1A1 (0.53) POLBKDM4ESMN1; SMN2TDP1ALDH1A1
SCHEMBL928895 0.82 ALDH1A1 (0.53) POLBKDM4ESMN1; SMN2TDP1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP claimed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 RECQL 2763/4885POLB 4564/4885KDM4E 1667/4885

“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.