SCHEMBL6068675

SCHEMBL6068675

CCOC(=O)c1nn(Cc2ccccc2Cl)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.53
ALDH1A1 P00352 6/20 0.52
ELANE P08246 8/20 0.51
RXFP1 Q9HBX9 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2883538 0.87 PDE5A (0.53) ALDH1A1ELANEMAPTGAA
SCHEMBL1217408 0.86 L3MBTL1 (0.61) PTGDR2ALDH1A1ELANEL3MBTL1F2
SCHEMBL6068569 0.83 ELANE (0.52) ALDH1A1ELANEGAA
SCHEMBL6227911 0.83 PTGDR2 (0.48) PTGDR2ALDH1A1RXFP1L3MBTL1MAPT
SCHEMBL6068344 0.83 PTGDR2 (0.49) PTGDR2RXFP1L3MBTL1MAPTGAA
SCHEMBL9925003 0.80 PTGDR2 (0.54) PTGDR2ALDH1A1ELANERXFP1L3MBTL1
SCHEMBL6220928 0.78 MAPT (0.46) PTGDR2ALDH1A1RXFP1L3MBTL1MAPT
SCHEMBL1048885 0.77 CYP1A2 (0.53) PTGDR2ALDH1A1L3MBTL1MAPTGAA
Hydrochloric Acid SCHEMBL6068574 0.77 MAPT (0.45) PTGDR2ALDH1A1RXFP1L3MBTL1MAPT
SCHEMBL2087811 0.76 PTGDR2 (0.58) PTGDR2ALDH1A1RXFP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135474-B2 Derivatives of 2-(1-benzyl-1H-pyrazolo(3,4-B)pyridine-3-yl)-5(-4-pyridinyl)l-4-pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER HEALTHCARE AG (DE) 2006-11-14 US disclosed
US-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 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-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators PDE3B, PDE5A, PDE3A PTGDR2 277/4885ALDH1A1 1157/4885ELANE 3837/4885

“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.