SCHEMBL4710508

SCHEMBL4710508

Nc1ccc(-n2cccc(CO)c2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 5/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 5/20 0.36
TP53 P04637 3/20 0.35
MET P08581 1/20 0.35
THRB P10828 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3003874 0.83 LMNA (0.39) RXFP1MAPTPOLBLMNATP53
SCHEMBL2991826 0.81 ALDH1A1 (0.39) RXFP1MAPTPOLBLMNATP53
SCHEMBL1028959 0.78 RXFP1 (0.46) RXFP1MAPTPOLBF10ALDH1A1
SCHEMBL4445693 0.75 TUBB4A (0.43) RXFP1MAPTTP53THRBALDH1A1
SCHEMBL30104800 0.74 F10 (0.43) F2F10ALDH1A1
SCHEMBL632873 0.74 F10 (0.43) F2F10ALDH1A1
Hydrochloric Acid SCHEMBL4999286 0.73 F10 (0.42) F2F10ALDH1A1
SCHEMBL22761934 0.71 PTGS1 (0.57) RXFP1MAPTLMNAALDH1A1
SCHEMBL11468996 0.70 RIPK3 (0.35) MAPTMETALDH1A1
SCHEMBL1027648 0.69 ALDH1A1 (0.39) F10ALDH1A1HDAC1HDAC6

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
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2007-08-29 EP disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 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 (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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD RXFP1 3734/4885MAPT 4489/4885POLB 3588/4885

“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.