SCHEMBL756167

SCHEMBL756167

CC(=O)Nc1cc(C(F)(F)F)cnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PIK3C3 Q8NEB9 1/20 0.49
PTPN5 P54829 1/20 0.48
ALDH1A1 P00352 3/20 0.46
AGBL2 Q5U5Z8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
NR2E1 Q9Y466 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TOP2A P11388 3/20 0.41
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SORT1 Q99523 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40

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
SCHEMBL19474952 0.84 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19PTPN5ALDH1A1
SCHEMBL2265349 0.83 ALDH1A1 (0.51) CYP1A2CYP2C9CYP2C19PTPN5ALDH1A1
SCHEMBL20200247 0.78 PIK3C3 (0.52) PIK3C3ALDH1A1AGBL2SMN1; SMN2
SCHEMBL21559919 0.78 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL30496398 0.78 KDM4E (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1AGBL2
SCHEMBL26244424 0.76 AGBL2 (0.39) CYP1A2CYP2C19ALDH1A1AGBL2SMN1; SMN2
SCHEMBL12708574 0.76 P2RX1 (0.48) AGBL2SMN1; SMN2RXFP1ATMSORT1
SCHEMBL20200131 0.75 PIK3C3 (0.52) PIK3C3ALDH1A1KDM4EJUNNFKB1
SCHEMBL1759235 0.75 PIK3C3 (0.52) PIK3C3ALDH1A1MAPTRXFP1
SCHEMBL12775221 0.74 KMT2A (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133657-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
US-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
CN-101379048-B Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP 2012-03-21 CN disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed
US-7998956-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-16 US disclosed
CN-101379048-A Benzo  oxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 CN disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (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-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 CYP1A2 164/4885CYP2C9 426/4885CYP2C19 283/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 CYP1A2 164/4885CYP2C9 426/4885CYP2C19 283/4885

“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.