SCHEMBL12006552

SCHEMBL12006552

O=C(O)C1COCCN1c1nc(C2c3ccccc3CN2C(F)F)ncc1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL12006311 0.83 AADAT (0.34)
SCHEMBL12006571 0.76 PIK3CA (0.32)
SCHEMBL12005011 0.71 ABL1 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABL1
SCHEMBL12006296 0.71 ABL1 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABL1
SCHEMBL12005013 0.71 ABL1 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABL1
SCHEMBL12005399 0.70 PIK3CB (0.53)
SCHEMBL12006558 0.68 PIK3CA (0.36)
SCHEMBL13733902 0.65 P2RX7 (0.42) ABL1BCR
SCHEMBL12005646 0.64 MTOR (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABL1
SCHEMBL12005612 0.63 ABL1 (0.39) ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045496-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-16 US disclosed
US-8791107-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-29 US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 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-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 GUCY1B2 750/4885GUCY1A2 1644/4885GUCY1A1 824/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 GUCY1B2 750/4885GUCY1A2 1644/4885GUCY1A1 824/4885

“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.