SCHEMBL1999869

SCHEMBL1999869

COc1cccc([C@@H](C)Nc2nc(Cl)nc(Cl)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 6/20 0.53
CASR P41180 5/20 0.50
KCNH3 Q9ULD8 1/20 0.50
IDH1 O75874 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
HTR6 P50406 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL3790519 1.00 PFKFB3 (0.53) PFKFB3CASRKCNH3IDH1SMN1; SMN2
SCHEMBL7896995 0.86 CASR (0.59) PFKFB3CASRKCNH3LMNAHTT
SCHEMBL10480049 0.78 GAA (0.53) KCNH3IDH1
SCHEMBL4388171 0.78 GAA (0.53) KCNH3IDH1
SCHEMBL1679423 0.78 CSF1R (0.58) PFKFB3CASR
SCHEMBL2521168 0.78 PFKFB3 (0.48) PFKFB3CASRSMN1; SMN2HTR1AADRA2B
SCHEMBL2519181 0.78 PFKFB3 (0.48) PFKFB3CASRSMN1; SMN2HTR1AADRA2B
SCHEMBL29560785 0.77 KCNH3 (0.53) PFKFB3KCNH3IDH1SMN1; SMN2
SCHEMBL15102653 0.77 KCNH3 (0.53) PFKFB3KCNH3IDH1SMN1; SMN2
SCHEMBL19286306 0.76 CASR (0.59) PFKFB3CASRSMN1; SMN2HTR1AADRA2B

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-1885486-B1 AFFINITY ADSORBENTS FOR FACTOR VIII AND VON WILLEBRAND'S FACTOR PROMETIC BIOSCIENCES LTD (GB) 2016-03-23 EP disclosed
US-7960182-B2 Affinity adsorbents for Factor VIII and von Willebrand's Factor PROMETIC BIOSCIENCES LTD. (GB) 2011-06-14 US disclosed
US-20090275141-A1 Affinity Adsorbents for Factor VIII and Von Willebrand's Factor DEPARTMENT OF ECONOMIC DEVELOPMENT (IM) 2009-11-05 US disclosed
EP-1885486-A1 AFFINITY ADSORBENTS FOR FACTOR VIII AND VON WILLEBRAND'S FACTOR Prometic Biosciences Ltd (GB) 2008-02-13 EP disclosed
WO-2006120427-A1 AFFINITY ADSORBENTS FOR FACTOR VIII AND VON WILLEBRAND'S FACTOR PROMETIC BIOSCIENCES LTD. (GB) 2006-11-16 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-20090275141-A1 Affinity Adsorbents for Factor VIII and Von Willebrand's Factor F8, F13B, F12 PFKFB3 4869/4885CASR 3367/4885KCNH3 277/4885

“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.